Geometry & MOs

Info

ID:

31983

PubChem CID:

3727028

Reduced:

SN2O3C18H24 (1)

Stoich.:

AB2C3D18E24 (1)

Weight, g/mol:

619.434907

ΔHf, kcal/mol:

-101.94

Dipole, Da:

10.12

IP(EA), eV:

 -9.08(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxy-N-[2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(N1)C=CC(=C2)S(=O)(=O)N3CCCCC3)C=O

DOS

IR

Vibrations