Geometry & MOs

Info

ID:	427595
PubChem CID:	135160362
Reduced:	O2S2F3N3C23H24 (1)
Stoich.:	A2B2C3D3E23F24 (1)
Weight, g/mol:	429.200547
ΔH_f, kcal/mol:	-129.36
Dipole, Da:	8.68
IP(EA), eV:	-8.42(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[1-[(3-chlorocyclohexa-2,4-dien-1-yl)-[2-(sulfanylamino)propyl]amino]propan-2-yl]-2,3-dihydro-1H-inden-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1CN(CC(N1SC2=CC=CC3=C2CC(C3)C(=O)N=O)C)C4=CC=C(C=C4)SC(F)(F)F

DOS

IR

Vibrations