Geometry & MOs

Info

ID:	36644
PubChem CID:	8010274
Reduced:	SN3O5H13C17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	409.084764
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	2.24
IP(EA), eV:	-9.73(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations