Geometry & MOs

Info

ID:

220176

PubChem CID:

85165328

Reduced:

N2O14C31H42 (1)

Stoich.:

A2B14C31D42 (1)

Weight, g/mol:

666.39925

ΔHf, kcal/mol:

-634.9

Dipole, Da:

6.96

IP(EA), eV:

 -9.79(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-(2-cyclohexylethylamino)-5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N(C1C(C(C(OC1OCC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

DOS

IR

Vibrations