Geometry & MOs

Info

ID:	188077
PubChem CID:	77666252
Reduced:	N3O5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	623.320665
ΔH_f, kcal/mol:	-229.9
Dipole, Da:	1.17
IP(EA), eV:	-9.6(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[2-(1-benzofuran-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)N

DOS

IR

Vibrations