Geometry & MOs

Info

ID:	266791
PubChem CID:	103579440
Reduced:	BrOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	269.037131
ΔH_f, kcal/mol:	17.03
Dipole, Da:	2.37
IP(EA), eV:	-9.7(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dicyanophenyl)-4-methylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=C(N=NS2)C(C)(C)C

DOS

IR

Vibrations