Geometry & MOs

Info

ID:	203208
PubChem CID:	79792468
Reduced:	NSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	433.89115
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	2.69
IP(EA), eV:	-10.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3,5-dibromobenzoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NS(=O)(=O)CC1CC1

DOS

IR

Vibrations