Geometry & MOs

Info

ID:

185705

PubChem CID:

77336000

Reduced:

NPO8C35H42 (1)

Stoich.:

ABC8D35E42 (1)

Weight, g/mol:

850.416631

ΔHf, kcal/mol:

-290.16

Dipole, Da:

6.65

IP(EA), eV:

 -8.54(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[2-[1-[2-(cyclopropanecarbonylamino)-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)OCC(CNCCC3=CC=C(C=C3)OCP(=O)(CCCOC4=CC=CC=C4)O)O)CO

DOS

IR

Vibrations