Geometry & MOs

Info

ID:	170335
PubChem CID:	75218353
Reduced:	O4C8H11 (2)
Stoich.:	A4B8C11 (2)
Weight, g/mol:	738.326479
ΔH_f, kcal/mol:	-344.68
Dipole, Da:	4.35
IP(EA), eV:	-9.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-[[1-oxo-1-phenylmethoxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CCCOC2=CC(=CC(=C2)O)C(=O)O)O)O)O

DOS

IR

Vibrations