Geometry & MOs

Info

ID:	172013
PubChem CID:	75453768
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	8.38
IP(EA), eV:	-8.39(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=CNC1=O)NC(=O)NCC2=CN(N=C2C3=CC=CC=C3)C

DOS

IR

Vibrations