Geometry & MOs

Info

ID:	206295
PubChem CID:	80226575
Reduced:	BrNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	369.92928
ΔH_f, kcal/mol:	-110.17
Dipole, Da:	5.31
IP(EA), eV:	-9.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations