Geometry & MOs

Info

ID:	144275
PubChem CID:	53340996
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	530.123561
ΔH_f, kcal/mol:	-121.74
Dipole, Da:	6.84
IP(EA), eV:	-9.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2,5-difluorophenyl)sulfonyl-N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](CC(=O)O)NC(=O)CC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations