Geometry & MOs

Info

ID:

309572

PubChem CID:

126549019

Reduced:

SF3O5H21C22 (1)

Stoich.:

AB3C5D21E22 (1)

Weight, g/mol:

738.285855

ΔHf, kcal/mol:

-323.5

Dipole, Da:

4.95

IP(EA), eV:

 -8.87(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S,3S,4R)-2-[[(1R,2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-3-ethyl-4-(7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OCC2=C3C(=CC(=C2)OC(F)(F)F)C=C(O3)CS)CCC(=O)O

DOS

IR

Vibrations