Geometry & MOs

Info

ID:	34105
PubChem CID:	7889830
Reduced:	FNO7H14C17 (1)
Stoich.:	ABC7D14E17 (1)
Weight, g/mol:	416.104208
ΔH_f, kcal/mol:	-186.34
Dipole, Da:	3.52
IP(EA), eV:	-9.62(-1.21)
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] 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)C(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations