Geometry & MOs

Info

ID:	55728
PubChem CID:	17396205
Reduced:	ClNOSC15H16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	329.11757
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations