Geometry & MOs

Info

ID:	9586
PubChem CID:	91233
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-226.57
Dipole, Da:	3.12
IP(EA), eV:	-9.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations