Geometry & MOs

Info

ID:	64573
PubChem CID:	29202992
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	427.108959
ΔH_f, kcal/mol:	-138.69
Dipole, Da:	5.07
IP(EA), eV:	-8.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCC4=O

DOS

IR

Vibrations