Geometry & MOs

Info

ID:	137237
PubChem CID:	52175458
Reduced:	BrN2S2O3C10H13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	354.95476
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	4.22
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-bromothiophen-2-yl)sulfonyl-propylamino]acetate

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NS(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations