Geometry & MOs

Info

ID:

176802

PubChem CID:

76101539

Reduced:

S4O6N7H17C18 (1)

Stoich.:

A4B6C7D17E18 (1)

Weight, g/mol:

430.344695

ΔHf, kcal/mol:

-79.92

Dipole, Da:

4.57

IP(EA), eV:

 -8.81(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] formate

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(N=CS4)C(=O)N)C(=O)O

DOS

IR

Vibrations