Geometry & MOs

Info

ID:	167723
PubChem CID:	74863291
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	337.092337
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	11.18
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-nitrophenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)N)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations