Geometry & MOs

Info

ID:	129735
PubChem CID:	51073683
Reduced:	OS2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	326.087118
ΔH_f, kcal/mol:	63.11
Dipole, Da:	6.77
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC(=O)/C(=C/2\NC3=CC=CC=C3N2C)/C#N

DOS

IR

Vibrations