Geometry & MOs

Info

ID:	62735
PubChem CID:	26736424
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	8.24
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

DOS

IR

Vibrations