Geometry & MOs

Info

ID:	437382
PubChem CID:	135226191
Reduced:	F2N2O3C23H24 (1)
Stoich.:	A2B2C3D23E24 (1)
Weight, g/mol:	534.127025
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	3.76
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R,5R)-5-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-3-fluorocyclopenten-1-yl]-2-oxoethyl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(C(=CC=C2)NC(=O)[C@@H]3CC(C=C3C(=O)N(C)OC)F)F

DOS

IR

Vibrations