Geometry & MOs

Info

ID:	32770
PubChem CID:	7848178
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-200.62
Dipole, Da:	6.45
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)O

DOS

IR

Vibrations