Geometry & MOs

Info

ID:	117307
PubChem CID:	50598092
Reduced:	ClO4N5C29H30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	545.15966
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	5.27
IP(EA), eV:	-8.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations