Geometry & MOs

Info

ID:	172453
PubChem CID:	75512295
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	330.083827
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	6.32
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)sulfanyl-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C2N(C(=O)C3=CC=CC=C3N2CC(=O)NC)C

DOS

IR

Vibrations