Geometry & MOs

Info

ID:	1412
PubChem CID:	4356
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-222.06
Dipole, Da:	4.99
IP(EA), eV:	-9.73(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NCC(=O)O

DOS

IR

Vibrations