Geometry & MOs

Info

ID:	220382
PubChem CID:	85182291
Reduced:	N2O3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	470.241687
ΔH_f, kcal/mol:	-243.83
Dipole, Da:	5.31
IP(EA), eV:	-9.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-hydroxy-3-(phenylmethoxycarbonylamino)octanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NCCO)NC(=O)CNC(=O)CCC2=CC=C(C=C2)O

DOS

IR

Vibrations