Geometry & MOs

Info

ID:	34160
PubChem CID:	7890123
Reduced:	FNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	4.6
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

C[C@]12C[C@H](CC(C1)(C)C)N(C2)C(=O)COC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations