Geometry & MOs

Info

ID:	426762
PubChem CID:	135153746
Reduced:	BrN3H14C21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	346.95395
ΔH_f, kcal/mol:	127.55
Dipole, Da:	2.3
IP(EA), eV:	-9.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methylphenyl)-4-(difluoromethyl)thiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC(=CC(=C2)C3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations