Geometry & MOs

Info

ID:

173134

PubChem CID:

75602948

Reduced:

N9O10C44H55 (1)

Stoich.:

A9B10C44D55 (1)

Weight, g/mol:

763.344195

ΔHf, kcal/mol:

-352.39

Dipole, Da:

5.62

IP(EA), eV:

 -8.74(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-cyclopropyl-2-[2-[5-[6-[2-[[1-[2-cyclopropyl-2-(methoxycarbonylamino)acetyl]pyrrolidine-3-carbonyl]amino]pyrimidin-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(C(=O)N1CCC(C1)CNC2=NC=C(C=N2)C3=CC4=C(C=C3)C=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(=O)OCCCC)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations