Geometry & MOs

Info

ID:

190021

PubChem CID:

77943353

Reduced:

O3N4C21H26 (2)

Stoich.:

A3B4C21D26 (2)

Weight, g/mol:

784.463582

ΔHf, kcal/mol:

-184.58

Dipole, Da:

10.79

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylpentanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-methylcyclohex-3-en-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4(CCC(=CC4)C5=CN=C(N5)C(C)NC(=O)C(C6=CC=CC=C6)NC(=O)OC)C)NC(=O)OC

DOS

IR

Vibrations