Geometry & MOs

Info

ID:	55347
PubChem CID:	17395268
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	5.81
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

DOS

IR

Vibrations