Geometry & MOs

Info

ID:	49693
PubChem CID:	11533567
Reduced:	OSN3C32H35 (1)
Stoich.:	ABC3D32E35 (1)
Weight, g/mol:	510.134874
ΔH_f, kcal/mol:	24.88
Dipole, Da:	6.47
IP(EA), eV:	-7.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-cyanocyclopropyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC3=C(C=C2)N(C4=CC=CC=C4S3)C5CC6CCC(C5)N6CCC7=CC=CC=C7

DOS

IR

Vibrations