Geometry & MOs

Info

ID:	400891
PubChem CID:	135049350
Reduced:	BClOSC28H52 (1)
Stoich.:	ABCDE28F52 (1)
Weight, g/mol:	883.346904
ΔH_f, kcal/mol:	-186.84
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydron;phenol;1-phenyl-N-[(1S)-1-phenylethyl]methanimine;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B(C[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C[C@H]2C[C@@H](CC[C@H]2C(C)C)C)O/C(=C/Cl)/SC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B(C[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C[C@H]2C[C@@H](CC[C@H]2C(C)C)C)O/C(=C/Cl)/SC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):