Geometry & MOs

Info

ID:	37939
PubChem CID:	8025673
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-31.49
Dipole, Da:	4.52
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations