Geometry & MOs

Info

ID:	153876
PubChem CID:	56313208
Reduced:	O2F3N4C22H29 (1)
Stoich.:	A2B3C4D22E29 (1)
Weight, g/mol:	451.102434
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	6.18
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations