Geometry & MOs

Info

ID:	274710
PubChem CID:	103811206
Reduced:	ClOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	306.037147
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	6.56
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-2,4-difluoro-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1(CCCS1)C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations