Geometry & MOs

Info

ID:	19636
PubChem CID:	569463
Reduced:	OSN6H16C19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	376.11063
ΔH_f, kcal/mol:	126.04
Dipole, Da:	11.18
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzamido-N-(2,4-dimethylanilino)-1,3,4-thiadiazole-2-carboximidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NN=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations