Geometry & MOs

Info

ID:

316026

PubChem CID:

126629693

Reduced:

ClSO4N8C27H41 (1)

Stoich.:

ABC4D8E27F41 (1)

Weight, g/mol:

511.333145

ΔHf, kcal/mol:

-134.75

Dipole, Da:

9.39

IP(EA), eV:

 -7.89(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1N2CCC(CC2)N(C)C)OC)NC3=NC=C(C(=N3)NC4CCN(CC4)S(=O)(=O)C)Cl

DOS

IR

Vibrations