Geometry & MOs

Info

ID:

186673

PubChem CID:

77465354

Reduced:

SN7O7C40H53 (1)

Stoich.:

AB7C7D40E53 (1)

Weight, g/mol:

819.551

ΔHf, kcal/mol:

-245.45

Dipole, Da:

13.51

IP(EA), eV:

 -9.46(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propylamino]-4-oxobutanoyl]amino]-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]butanediamide

Drug info:

PubChemData

Smile

CCC(C)CC(=O)N1CCCC1C2=NCC(N2)C3=CC4=C(C=C3)S(=O)(=O)C5=C(O4)C=CC(=C5)C6CN=C(N6)C7CCCN7C(=O)C(C(C)CC)NC(=O)OC

DOS

IR

Vibrations