Geometry & MOs

Info

ID:	95248
PubChem CID:	50007459
Reduced:	O4N5C30H33 (1)
Stoich.:	A4B5C30D33 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	8.96
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]-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)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations