Geometry & MOs

Info

ID:	444082
PubChem CID:	135261290
Reduced:	BrINF2O2H13C18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	350.044917
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.17
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2[C@@H]([C@@]1(C3=CC=CC=C3OC(F)F)I)C4=C(C2=O)C=CC(=C4)Br

DOS

IR

Vibrations