Geometry & MOs

Info

ID:	140626
PubChem CID:	52731918
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	5.57
IP(EA), eV:	-7.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[[(1S)-1-phenylethyl]amino]anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)N[C@H](C)C3=CC=CC=C3)OCC4=CN=CC=C4

DOS

IR

Vibrations