Geometry & MOs

Info

ID:	45870
PubChem CID:	10518415
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	301.123342
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	6.04
IP(EA), eV:	-9.23(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[chloro(phenyl)methyl]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations