Geometry & MOs

Info

ID:	426751
PubChem CID:	135153696
Reduced:	F3O3N5C22H30 (1)
Stoich.:	A3B3C5D22E30 (1)
Weight, g/mol:	364.94453
ΔH_f, kcal/mol:	-238.17
Dipole, Da:	3.56
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-2-(fluoromethyl)phenyl]-4-(difluoromethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NNC(=N3)C(F)(F)F

DOS

IR

Vibrations