Geometry & MOs

Info

ID:	217844
PubChem CID:	85088482
Reduced:	NO4C25H27 (1)
Stoich.:	AB4C25D27 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	3.39
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3,3-dimethyl-7-oxo-6-prop-1-enylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C2C3=C(CC4C5(C3(CCN4CCC6=CC=CC=C6)C(O2)C(C=C5)O)O)C=C1

DOS

IR

Vibrations