Geometry & MOs

Info

ID:	129221
PubChem CID:	51071973
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	491.281778
ΔH_f, kcal/mol:	-142.61
Dipole, Da:	4.18
IP(EA), eV:	-9.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-octylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations