Geometry & MOs

Info

ID:

190024

PubChem CID:

77943376

Reduced:

O5N9C46H61 (1)

Stoich.:

A5B9C46D61 (1)

Weight, g/mol:

764.400981

ΔHf, kcal/mol:

-177.96

Dipole, Da:

5.08

IP(EA), eV:

 -8.68(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[4-[2-[1-[[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]ethyl]-1H-imidazol-5-yl]-1-methylcyclohex-3-en-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCNC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4(CCC(CC4)(C)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)C

DOS

IR

Vibrations