Geometry & MOs

Info

ID:

437095

PubChem CID:

135214745

Reduced:

N10O10C55H98 (1)

Stoich.:

A10B10C55D98 (1)

Weight, g/mol:

455.412715

ΔHf, kcal/mol:

-575.63

Dipole, Da:

19.66

IP(EA), eV:

 -9.17(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NCC(=O)N(C(C)C)C(C)(C)C(=O)NCC(=O)N(C(C)C)C(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC1CC1)NC(=O)C2CCCN2C(=O)CCCCC

DOS

IR

Vibrations