Geometry & MOs

Info

ID:	153885
PubChem CID:	56313220
Reduced:	SF3N3O3C21H22 (1)
Stoich.:	AB3C3D3E21F22 (1)
Weight, g/mol:	479.154863
ΔH_f, kcal/mol:	-220.8
Dipole, Da:	3.74
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[(4-methylphenyl)sulfamoyl]thiophene-2-carbonyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCCNC2=NC3=CC=CC=C3S2)OCC(F)(F)F

DOS

IR

Vibrations