Geometry & MOs

Info

ID:	110686
PubChem CID:	50336056
Reduced:	O5N6C32H44 (1)
Stoich.:	A5B6C32D44 (1)
Weight, g/mol:	585.295119
ΔH_f, kcal/mol:	-227.28
Dipole, Da:	4.94
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxybenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations