Geometry & MOs

Info

ID:	206296
PubChem CID:	80226733
Reduced:	BrN2S2O5C9H11 (1)
Stoich.:	AB2C2D5E9F11 (1)
Weight, g/mol:	397.00171
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	4.21
IP(EA), eV:	-9.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O

DOS

IR

Vibrations