Geometry & MOs

Info

ID:	128875
PubChem CID:	51061854
Reduced:	ClN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	513.0091
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	3.84
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N/N=C/C(=C\C1=CC=CC=C1)/C)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations