Geometry & MOs

Info

ID:

185701

PubChem CID:

77335217

Reduced:

N2O2C12H13 (4)

Stoich.:

A2B2C12D13 (4)

Weight, g/mol:

828.432282

ΔHf, kcal/mol:

-226.56

Dipole, Da:

4.7

IP(EA), eV:

 -8.51(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[7-[6-[2-[1-[ethyl-[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]propyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC(CC1C2=NC=C(N2)C3=CC4=C(C=C3)C5=C(C=C6C(=C5)C=CC7=C6N=C(N7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)OC4)COC)NC(=O)OC

DOS

IR

Vibrations