Geometry & MOs

Info

ID:	62236
PubChem CID:	26718491
Reduced:	FSN4O6H17C18 (1)
Stoich.:	ABC4D6E17F18 (1)
Weight, g/mol:	416.034604
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	7.19
IP(EA), eV:	-9.79(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-methyl-N'-(3-nitrobenzoyl)-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations