Geometry & MOs

Info

ID:	559
PubChem CID:	2994
Reduced:	N4O5C19H28 (1)
Stoich.:	A4B5C19D28 (1)
Weight, g/mol:	392.20597
ΔH_f, kcal/mol:	-225.48
Dipole, Da:	5.78
IP(EA), eV:	-9.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN

DOS

IR

Vibrations