Geometry & MOs

Info

ID:	157098
PubChem CID:	56422123
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)N1CCCCC1C2OCCO2)C3=CC=CS3

DOS

IR

Vibrations