Geometry & MOs

Info

ID:	93895
PubChem CID:	49997549
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-167.18
Dipole, Da:	7.86
IP(EA), eV:	-8.94(-0.41)
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-carbamoyl-4-chlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations