Geometry & MOs

Info

ID:	323158
PubChem CID:	126673096
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	297.053175
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-N-(1-methyltetrazol-5-yl)-6-oxocyclohexa-1,3-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CC(=O)C1=C(C=C(C=C1)Cl)N)NC(=O)C

DOS

IR

Vibrations