Geometry & MOs

Info

ID:	132832
PubChem CID:	51428795
Reduced:	SN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	402.118418
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.999384
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations