Geometry & MOs

Info

ID:	129159
PubChem CID:	51071793
Reduced:	N3O4C37H45 (1)
Stoich.:	A3B4C37D45 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-135.03
Dipole, Da:	9.53
IP(EA), eV:	-8.88(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H]3CCCC[C@H]3N(CC4=CC=CC(=C4)C)C(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations