Geometry & MOs

Info

ID:	140252
PubChem CID:	52670365
Reduced:	BrFN2O2S2H16C17 (1)
Stoich.:	ABC2D2E2F16G17 (1)
Weight, g/mol:	441.98206
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	3.52
IP(EA), eV:	-8.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2R)-1-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

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