Geometry & MOs

Info

ID:	135818
PubChem CID:	51940477
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	8.9
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-cyanophenoxy)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC(C)C)OC)NC(=O)[C@H](C)OC2=CC=CC=C2C#N

DOS

IR

Vibrations