Geometry & MOs

Info

ID:	140251
PubChem CID:	52670083
Reduced:	ClN3O3C23H34 (1)
Stoich.:	AB3C3D23E34 (1)
Weight, g/mol:	441.98206
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	4.31
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2S)-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]1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations