Geometry & MOs

Info

ID:

191141

PubChem CID:

78110256

Reduced:

OF2N5H19C20 (1)

Stoich.:

AB2C5D19E20 (1)

Weight, g/mol:

950.469061

ΔHf, kcal/mol:

-38.15

Dipole, Da:

5.08

IP(EA), eV:

 -9.41(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[6-[4-[4-[3-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6,10-dioxa-3,14,15-triazatricyclo[10.2.1.12,5]hexadeca-1(14),12-dien-13-yl]phenyl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=NC=C3C(=C2)CN(C3=O)C(CC4=CC(=CC(=C4)F)F)CN

DOS

IR

Vibrations