Geometry & MOs

Info

ID:	138569
PubChem CID:	52385315
Reduced:	NO5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	352.12792
ΔH_f, kcal/mol:	-216.96
Dipole, Da:	1.22
IP(EA), eV:	-10.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(2S)-butan-2-yl]-(thiophen-3-ylmethyl)amino]methyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C(=O)O[C@H]2[C@H](CCN2C(=O)O1)O)C

DOS

IR

Vibrations