Geometry & MOs

Info

ID:	325464
PubChem CID:	126683411
Reduced:	NO4C34H49 (1)
Stoich.:	AB4C34D49 (1)
Weight, g/mol:	509.386895
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	9.63
IP(EA), eV:	-9.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,15S,23R)-5-(3-hydroxypropyl)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-ol

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

C[C@]1(CC[C@@]2(C(CCC(CC1)(C)C)C(=O)C=C3[C@]2(CC[C@@H]4[C@@]3(C=C(C(=O)C4(C)C)C#N)C)C)C)CCC(=O)O

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

C[C@]1(CC[C@@]2(C(CCC(CC1)(C)C)C(=O)C=C3[C@]2(CC[C@@H]4[C@@]3(C=C(C(=O)C4(C)C)C#N)C)C)C)CCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):