Geometry & MOs

Info

ID:	95312
PubChem CID:	50008090
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	555.284555
ΔH_f, kcal/mol:	-149.0
Dipole, Da:	6.61
IP(EA), eV:	-8.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C

DOS

IR

Vibrations