Geometry & MOs

Info

ID:

185009

PubChem CID:

77239729

Reduced:

SF2O4N8C31H42 (1)

Stoich.:

AB2C4D8E31F42 (1)

Weight, g/mol:

844.43843

ΔHf, kcal/mol:

-191.91

Dipole, Da:

6.23

IP(EA), eV:

 -8.11(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[2-[4-[2-[1-(2-carbamoyloxy-2,3-dimethylbutanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CN(CC2C1NNC2NC(=O)C3=C(C=C(C=C3)N4CCN(CC4)C)NC(=O)N5CCCC5)S(=O)(=O)C6=CC(=CC(=C6)F)F)C

DOS

IR

Vibrations