Geometry & MOs

Info

ID:	378787
PubChem CID:	134224886
Reduced:	SO3F4N7H17C18 (1)
Stoich.:	AB3C4D7E17F18 (1)
Weight, g/mol:	308.225249
ΔH_f, kcal/mol:	-220.05
Dipole, Da:	5.6
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-[(Z)-3-methylbut-1-enyl]-N-phenyl-3a,6,7,7a-tetrahydroindol-5-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations