Geometry & MOs

Info

ID:	204608
PubChem CID:	79988425
Reduced:	BrNS2O4C11H16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	368.97041
ΔH_f, kcal/mol:	-152.46
Dipole, Da:	2.61
IP(EA), eV:	-9.62(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC(=C(S1)Br)C

DOS

IR

Vibrations