Geometry & MOs

Info

ID:	165166
PubChem CID:	74509516
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	427.210721
ΔH_f, kcal/mol:	-100.62
Dipole, Da:	5.42
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-azaniumyl-3-phenylpropanoyl)amino]-6-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)C=CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations