Geometry & MOs

Info

ID:	236267
PubChem CID:	92712128
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	424.14905
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	4.28
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-butoxyphenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCC1=CC=CO1)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations