Geometry & MOs

Info

ID:	60935
PubChem CID:	26703346
Reduced:	ClNO4H22C25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	480.108814
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	5.49
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations