Geometry & MOs

Info

ID:	62239
PubChem CID:	26718512
Reduced:	SN4O5H14C18 (1)
Stoich.:	AB4C5D14E18 (1)
Weight, g/mol:	412.084141
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	5.69
IP(EA), eV:	-9.59(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations