Geometry & MOs

Info

ID:	196364
PubChem CID:	78815045
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	8.74
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations