Geometry & MOs

Info

ID:	54611
PubChem CID:	17388986
Reduced:	BrSN2C24H25 (1)
Stoich.:	ABC2D24E25 (1)
Weight, g/mol:	324.050339
ΔH_f, kcal/mol:	57.43
Dipole, Da:	6.88
IP(EA), eV:	-8.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-5-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC4=CC=CC=C43)N2C.Br

DOS

IR

Vibrations