Geometry & MOs

Info

ID:	140254
PubChem CID:	52670367
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-164.88
Dipole, Da:	3.52
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)N[C@@H]2CCSC3=C2C=CC=C3F

DOS

IR

Vibrations