Geometry & MOs

Info

ID:	69239
PubChem CID:	46530504
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	426.122498
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	5.19
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations