Geometry & MOs

Info

ID:	62238
PubChem CID:	26718503
Reduced:	N5O5H15C18 (1)
Stoich.:	A5B5C15D18 (1)
Weight, g/mol:	398.068491
ΔH_f, kcal/mol:	4.77
Dipole, Da:	9.51
IP(EA), eV:	-9.15(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N'-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]benzohydrazide

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations