Geometry & MOs

Info

ID:	37694
PubChem CID:	8023352
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	4.17
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C\C2=CC(=CC=C2)OCC3=CC=CC=C3)/NC1=S

DOS

IR

Vibrations