Geometry & MOs

Info

ID:

215319

PubChem CID:

85084537

Reduced:

NSO8C47H71 (1)

Stoich.:

ABC8D47E71 (1)

Weight, g/mol:

809.478724

ΔHf, kcal/mol:

-429.95

Dipole, Da:

4.33

IP(EA), eV:

 -8.62(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-[3-(2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-4-yl)propyl]pentanamide;manganese(2+);dichloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCC

DOS

IR

Vibrations