Geometry & MOs

Info

ID:	62700
PubChem CID:	26736251
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	400.095374
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	5.32
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations