Geometry & MOs

Info

ID:	62675
PubChem CID:	26732710
Reduced:	NF3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	478.190184
ΔH_f, kcal/mol:	-246.23
Dipole, Da:	4.34
IP(EA), eV:	-9.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@H](OC2=O)CC(=O)NCCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations