Geometry & MOs

Info

ID:

186186

PubChem CID:

77400352

Reduced:

N4O5C23H30 (2)

Stoich.:

A4B5C23D30 (2)

Weight, g/mol:

764.400981

ΔHf, kcal/mol:

-302.6

Dipole, Da:

6.01

IP(EA), eV:

 -8.63(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-3,5-dimethylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C#CC4=C(C(=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)OCCOC)OCCOC)NC(=O)OC

DOS

IR

Vibrations