Geometry & MOs

Info

ID:	140253
PubChem CID:	52670366
Reduced:	BrFN2O2S2H16C17 (1)
Stoich.:	ABC2D2E2F16G17 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	4.68
IP(EA), eV:	-8.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CCSC2=C1C=CC=C2F)NC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations