Geometry & MOs

Info

ID:	353391
PubChem CID:	127284767
Reduced:	SN2O3C19H32 (1)
Stoich.:	AB2C3D19E32 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-173.72
Dipole, Da:	1.41
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1CCCO1)C2CCSC2)NC(=O)C3CCCCC3

DOS

IR

Vibrations