Geometry & MOs

Info

ID:	154528
PubChem CID:	56313985
Reduced:	OF4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	493.112999
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	3.39
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[(2-phenylmethoxypyridin-4-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations