Geometry & MOs

Info

ID:	154178
PubChem CID:	56313581
Reduced:	FN2O4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	451.123563
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	6.09
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[(4-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations