Geometry & MOs

Info

ID:	16987
PubChem CID:	481720
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-223.08
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-acetyl-4-(4-methoxyanilino)-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)OC)C(=O)C

DOS

IR

Vibrations