Geometry & MOs

Info

ID:	167308
PubChem CID:	74807452
Reduced:	SO2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	15.06
Dipole, Da:	2.67
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-[2-[4-methyl-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCC(=O)NCC4CC5CC4C=C5

DOS

IR

Vibrations