Geometry & MOs

Info

ID:	194704
PubChem CID:	78578269
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	572.107579
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	2.42
IP(EA), eV:	-7.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(8S)-5,10,12-trioxo-8-(4-phenylmethoxyphenyl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-11-yl]benzoate

Drug info:

PubChemData

Smile

CC[N+]1=C([N+](=C(C2=CC=CC=C21)O)CC)O

DOS

IR

Vibrations