Geometry & MOs

Info

ID:	175097
PubChem CID:	75855759
Reduced:	FOS2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	406.068881
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	7.36
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NN=C(N2C)C3=CC=CC=C3F

DOS

IR

Vibrations