Geometry & MOs

Info

ID:	218155
PubChem CID:	85088960
Reduced:	N2O6C23H34 (1)
Stoich.:	A2B6C23D34 (1)
Weight, g/mol:	434.145285
ΔH_f, kcal/mol:	-269.53
Dipole, Da:	4.91
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3a,5-triphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C=CC1=C(C=C(C=C1)OC)O

DOS

IR

Vibrations