Geometry & MOs

Info

ID:	204611
PubChem CID:	79988447
Reduced:	FSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	354.95476
ΔH_f, kcal/mol:	8.19
Dipole, Da:	2.93
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C2=NC=C(C=C2)F)NC

DOS

IR

Vibrations