Geometry & MOs

Info

ID:	19448
PubChem CID:	564108
Reduced:	N3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	427.174336
ΔH_f, kcal/mol:	-218.91
Dipole, Da:	4.14
IP(EA), eV:	-9.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-amino-1,4-dioxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCC(=O)CC(C(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations