Geometry & MOs

Info

ID:	175096
PubChem CID:	75855758
Reduced:	O2S2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	390.098432
ΔH_f, kcal/mol:	32.99
Dipole, Da:	6.33
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=N2)SC(C)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations