Geometry & MOs

Info

ID:	236258
PubChem CID:	92712093
Reduced:	N2S2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	430.00205
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	6.93
IP(EA), eV:	-8.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C(C)C)NS(=O)(=O)C2=CC=CS2)C

DOS

IR

Vibrations