Geometry & MOs

Info

ID:	66365
PubChem CID:	46504452
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	501.226371
ΔH_f, kcal/mol:	-102.13
Dipole, Da:	6.91
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CC4C(=O)NC(=O)N4

DOS

IR

Vibrations