Geometry & MOs

Info

ID:	236263
PubChem CID:	92712116
Reduced:	S2O3N4C22H38 (1)
Stoich.:	A2B3C4D22E38 (1)
Weight, g/mol:	415.196334
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	4.15
IP(EA), eV:	-8.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCCN1CCC(CC1)N2CCCCC2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations