Geometry & MOs

Info

ID:	184593
PubChem CID:	77180604
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	513.125787
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	8.83
IP(EA), eV:	-9.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-1-(cyclopropylmethyl)-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyrimidine-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCOC(C1)OCC2=CC(=CC=C2)C3NC(=O)ON3

DOS

IR

Vibrations