Geometry & MOs

Info

ID:	16927
PubChem CID:	480294
Reduced:	NOSF3H5C8 (2)
Stoich.:	ABCD3E5F8 (2)
Weight, g/mol:	440.008789
ΔH_f, kcal/mol:	-357.48
Dipole, Da:	9.21
IP(EA), eV:	-9.51(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-carbamoyl-6-(trifluoromethyl)phenyl]disulfanyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)SSC2=C(C=CC=C2C(F)(F)F)C(=O)N)C(=O)N

DOS

IR

Vibrations