Geometry & MOs

Info

ID:	363032
PubChem CID:	127310057
Reduced:	N2S2O3C14H26 (1)
Stoich.:	A2B2C3D14E26 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-150.49
Dipole, Da:	6.26
IP(EA), eV:	-8.98(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylsulfanylazepan-1-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCSC1CCCCN(C1)C(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations