Geometry & MOs

Info

ID:	196816
PubChem CID:	78882601
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	400.04714
ΔH_f, kcal/mol:	-69.49
Dipole, Da:	3.85
IP(EA), eV:	-9.0(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-methylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC(CC2)NC(=O)NCC3=CC(=CC=C3)CN4CCCC4=O

DOS

IR

Vibrations