Geometry & MOs

Info

ID:	237675
PubChem CID:	92720565
Reduced:	NC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	425.120941
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	1.47
IP(EA), eV:	-8.51(3.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-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]1C[C@H](CC(C1)(C)C)NC2CCC(CC2)C

DOS

IR

Vibrations