Geometry & MOs

Info

ID:

170253

PubChem CID:

75212909

Reduced:

N2O5C25H32 (1)

Stoich.:

A2B5C25D32 (1)

Weight, g/mol:

568.324748

ΔHf, kcal/mol:

-212.72

Dipole, Da:

4.29

IP(EA), eV:

 -8.63(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C(=O)OC(C)(C)C)C=O

DOS

IR

Vibrations