Geometry & MOs

Info

ID:	109954
PubChem CID:	50302966
Reduced:	O5N6C35H48 (1)
Stoich.:	A5B6C35D48 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-232.76
Dipole, Da:	7.01
IP(EA), eV:	-8.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4CCCCC4

DOS

IR

Vibrations