Geometry & MOs

Info

ID:

190385

PubChem CID:

77995363

Reduced:

SN5O10C38H53 (1)

Stoich.:

AB5C10D38E53 (1)

Weight, g/mol:

638.272748

ΔHf, kcal/mol:

-391.68

Dipole, Da:

13.19

IP(EA), eV:

 -9.17(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[17-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC(=O)N5CC6=C(C5)C(=CC=C6)OCCCCCCCCOC(=O)N1

DOS

IR

Vibrations