Geometry & MOs

Info

ID:	234298
PubChem CID:	92298125
Reduced:	ClNSO3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	4.13
IP(EA), eV:	-9.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R,6S,7S)-3,5,9-trioxo-4-phenyl-4,8-diazatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate

Drug info:

PubChemData

Smile

CO/N=C\[C@@H](/C=C/C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations