Geometry & MOs

Info

ID:	302929
PubChem CID:	124403701
Reduced:	ON3C24H39 (1)
Stoich.:	AB3C24D39 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	4.27
IP(EA), eV:	-8.61(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CCCNC(=O)C2=CC=C(C=C2)CN3CCC[C@@H](C3)C

DOS

IR

Vibrations