Geometry & MOs

Info

ID:	336573
PubChem CID:	127255580
Reduced:	ON2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	543.309707
ΔH_f, kcal/mol:	-2.24
Dipole, Da:	1.55
IP(EA), eV:	-8.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-2-[[[(2S)-2-amino-4-phenylbutanoyl]amino]methyl]-4-methylpentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CNC2=C1C=CC(=N2)OC

DOS

IR

Vibrations