Geometry & MOs

Info

ID:	62118
PubChem CID:	26717626
Reduced:	SCl2N2O4C20H22 (1)
Stoich.:	AB2C2D4E20F22 (1)
Weight, g/mol:	352.038148
ΔH_f, kcal/mol:	-139.62
Dipole, Da:	7.4
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@H](C)C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations