Geometry & MOs

Info

ID:	273675
PubChem CID:	103771675
Reduced:	FNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	318.04967
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	2.64
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)NCC(C2=CSC=C2)O)F

DOS

IR

Vibrations