Geometry & MOs

Info

ID:	60934
PubChem CID:	26703340
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	435.123736
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	8.54
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)/C=C/C(=O)NC3=CC4=C(C=C3)OC(=N4)C

DOS

IR

Vibrations