Geometry & MOs

Info

ID:	35459
PubChem CID:	7979904
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	364.082599
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	1.93
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-nitrophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations