Geometry & MOs

Info

ID:

193428

PubChem CID:

78394043

Reduced:

N9O15C34H59 (1)

Stoich.:

A9B15C34D59 (1)

Weight, g/mol:

408.12407

ΔHf, kcal/mol:

-743.17

Dipole, Da:

6.63

IP(EA), eV:

 -10.13(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methoxy]-6-[4-(2-methoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)O)N

DOS

IR

Vibrations