Geometry & MOs

Info

ID:	237676
PubChem CID:	92720567
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	425.120941
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	3.87
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CN=CN3C4=CC=C(C=C4)F

DOS

IR

Vibrations