Geometry & MOs

Info

ID:

187341

PubChem CID:

77561058

Reduced:

N3O8C34H51 (1)

Stoich.:

A3B8C34D51 (1)

Weight, g/mol:

461.314123

ΔHf, kcal/mol:

-302.18

Dipole, Da:

7.86

IP(EA), eV:

 -8.45(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyanoethyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CN(C)CCCOC1CN(CC(C1C2=CC=C(C=C2)OCCCOC)OCC3=CC4=C(C=C3)OCCN4CCCOC)C(=O)O

DOS

IR

Vibrations