Geometry & MOs

Info

ID:	134577
PubChem CID:	51715735
Reduced:	SN7H19C24 (1)
Stoich.:	AB7C19D24 (1)
Weight, g/mol:	385.069015
ΔH_f, kcal/mol:	214.65
Dipole, Da:	5.29
IP(EA), eV:	-8.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=N\N4C(=NNC4=S)C5=CC=CC=C5

DOS

IR

Vibrations