Geometry & MOs

Info

ID:

220196

PubChem CID:

85165349

Reduced:

NO7H39C42 (1)

Stoich.:

AB7C39D42 (1)

Weight, g/mol:

669.341401

ΔHf, kcal/mol:

-116.53

Dipole, Da:

2.39

IP(EA), eV:

 -9.46(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 3-acetamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-methylpropyl(2-phenylethyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3=NC(=O)C4=CC=CC=C43)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations