Geometry & MOs

Info

ID:	110541
PubChem CID:	50329067
Reduced:	N3O3C16H22 (2)
Stoich.:	A3B3C16D22 (2)
Weight, g/mol:	543.14812
ΔH_f, kcal/mol:	-250.37
Dipole, Da:	3.18
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)OC)C(=O)NC(C)C

DOS

IR

Vibrations