Geometry & MOs

Info

ID:	16986
PubChem CID:	481719
Reduced:	ClN2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	416.1139
ΔH_f, kcal/mol:	-192.2
Dipole, Da:	3.21
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-acetyl-4-(4-chloroanilino)-4-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)C

DOS

IR

Vibrations