Geometry & MOs

Info

ID:

31846

PubChem CID:

3720873

Reduced:

N4O5C23H32 (1)

Stoich.:

A4B5C23D32 (1)

Weight, g/mol:

583.314517

ΔHf, kcal/mol:

-193.81

Dipole, Da:

2.96

IP(EA), eV:

 -9.53(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3,5,14-trihydroxy-13-methyl-10-[(3,4,5-trimethoxyphenyl)methyliminomethyl]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(=C)CC(C(=O)N1CCC2(C1)CCN(CC2)C(=O)CNC(=O)C3=CC=CO3)NC(=O)C

DOS

IR

Vibrations