Geometry & MOs

Info

ID:	431156
PubChem CID:	135171226
Reduced:	FON4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	3.02
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylamino)-1-oxothian-3-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations