Geometry & MOs

Info

ID:	174814
PubChem CID:	75819409
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	403.129884
ΔH_f, kcal/mol:	-148.84
Dipole, Da:	4.98
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[1-(3-chlorophenyl)ethylcarbamoylamino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)OC

DOS

IR

Vibrations