Geometry & MOs

Info

ID:	293826
PubChem CID:	117404157
Reduced:	BrNSC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	260.04963
ΔH_f, kcal/mol:	8.09
Dipole, Da:	2.7
IP(EA), eV:	-7.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC=C1Br)SC)N

DOS

IR

Vibrations