Geometry & MOs

Info

ID:	427587
PubChem CID:	135160261
Reduced:	SF3N3O3C21H22 (1)
Stoich.:	AB3C3D3E21F22 (1)
Weight, g/mol:	435.159218
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	10.13
IP(EA), eV:	-8.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[N-[(sulfanylamino)methyl]-4-(2,2,2-trifluoroethyl)anilino]ethyl]-2,3,4,5-tetrahydro-1H-indene-1-carbonyl cyanide

Drug info:

PubChemData

Smile

CC1CN(CCN1S(=O)C2=CC=CC3=C2CC(C3)C(=O)O)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations