Geometry & MOs

Info

ID:	141898
PubChem CID:	52948596
Reduced:	SO2F3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	423.09768
ΔH_f, kcal/mol:	-187.26
Dipole, Da:	6.03
IP(EA), eV:	-8.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)NC2=NC=C(C3=C2C=C(S3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)N

DOS

IR

Vibrations