Geometry & MOs

Info

ID:	131385
PubChem CID:	51199422
Reduced:	SO2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	351.138305
ΔH_f, kcal/mol:	26.92
Dipole, Da:	3.31
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations