Geometry & MOs

Info

ID:	154209
PubChem CID:	56313614
Reduced:	O3F4N4H20C22 (1)
Stoich.:	A3B4C4D20E22 (1)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-223.65
Dipole, Da:	4.72
IP(EA), eV:	-9.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)(C(F)(F)F)O

DOS

IR

Vibrations