Geometry & MOs

Info

ID:	19731
PubChem CID:	571464
Reduced:	NSO7H29C34 (1)
Stoich.:	ABC7D29E34 (1)
Weight, g/mol:	595.166473
ΔH_f, kcal/mol:	-160.61
Dipole, Da:	7.03
IP(EA), eV:	-8.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-acetamido-1-benzoyloxy-3-methoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl) benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations