Geometry & MOs

Info

ID:	154852
PubChem CID:	56314394
Reduced:	F3O3N4H23C25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-175.77
Dipole, Da:	5.84
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[3-[(4-methylphenyl)sulfamoyl]thiophene-2-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CN=C(C=C2)N3C=NC4=CC=CC=C43)OCC(F)(F)F

DOS

IR

Vibrations