Geometry & MOs

Info

ID:

314646

PubChem CID:

126622545

Reduced:

FN2O3C13H17 (1)

Stoich.:

AB2C3D13E17 (1)

Weight, g/mol:

664.158342

ΔHf, kcal/mol:

-174.27

Dipole, Da:

7.57

IP(EA), eV:

 -9.76(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(4-cyclopropyltriazol-1-yl)methyl]thieno[3,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@H](C2CC(CN2C(=O)O)F)O

DOS

IR

Vibrations