Geometry & MOs

Info

ID:	217792
PubChem CID:	85088398
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	400.188589
ΔH_f, kcal/mol:	-148.2
Dipole, Da:	7.37
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-14,14-dimethyl-9-phenylmethoxy-11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-3-en-5-one

Drug info:

PubChemData

Smile

C1CCOC2(C1)C3=C(C(=O)O2)N4C(C(C4=O)NC(=O)CC5=CC=CC=C5)SC3

DOS

IR

Vibrations