Geometry & MOs

Info

ID:	35464
PubChem CID:	7979909
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	397.9669
ΔH_f, kcal/mol:	-147.72
Dipole, Da:	4.06
IP(EA), eV:	-9.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3CCCCC3

DOS

IR

Vibrations