Geometry & MOs

Info

ID:

313777

PubChem CID:

126617573

Reduced:

SN3O6C18H21 (1)

Stoich.:

AB3C6D18E21 (1)

Weight, g/mol:

656.142023

ΔHf, kcal/mol:

-216.4

Dipole, Da:

10.23

IP(EA), eV:

 -9.49(-0.99)

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-(morpholine-4-carbonyl)thieno[3,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C(=O)NS(=O)(=O)C3CC3)C(=O)N

DOS

IR

Vibrations