Geometry & MOs

Info

ID:	3960
PubChem CID:	10500
Reduced:	NO8C27H43 (1)
Stoich.:	AB8C27D43 (1)
Weight, g/mol:	509.298867
ΔH_f, kcal/mol:	-229.01
Dipole, Da:	12.96
IP(EA), eV:	-6.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,13S,14S,16R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,22,23-heptol

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

CC1CCC2[C@@](C3C(CN2C1)C4CC56C([C@@]4([C@H](C3O)O)O)[C@@H](CC7C5(CCC(C7(O6)O)O)C)O)(C)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

CC1CCC2[C@@](C3C(CN2C1)C4CC56C([C@@]4([C@H](C3O)O)O)[C@@H](CC7C5(CCC(C7(O6)O)O)C)O)(C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):