Geometry & MOs

Info

ID:	43707
PubChem CID:	10321676
Reduced:	SO2F3N3C22H26 (1)
Stoich.:	AB2C3D3E22F26 (1)
Weight, g/mol:	453.216475
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	4.1
IP(EA), eV:	-8.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indazol-5-ylamino)-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1C[N+](CCN1CCO)(CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)[O-]

DOS

IR

Vibrations