Geometry & MOs

Info

ID:	140627
PubChem CID:	52731919
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	3.05
IP(EA), eV:	-7.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)N[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations