Geometry & MOs

Info

ID:	184389
PubChem CID:	77154768
Reduced:	O5C24H26 (1)
Stoich.:	A5B24C26 (1)
Weight, g/mol:	509.10572
ΔH_f, kcal/mol:	-166.35
Dipole, Da:	5.46
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(CCC(COCC3=CC=CC=C3)O)C(=O)O

DOS

IR

Vibrations