Geometry & MOs

Info

ID:	93878
PubChem CID:	49997438
Reduced:	O4N5C32H45 (1)
Stoich.:	A4B5C32D45 (1)
Weight, g/mol:	583.315855
ΔH_f, kcal/mol:	-190.62
Dipole, Da:	10.35
IP(EA), eV:	-8.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)C

DOS

IR

Vibrations