Geometry & MOs

Info

ID:	146927
PubChem CID:	53773603
Reduced:	SN3O5C29H31 (1)
Stoich.:	AB3C5D29E31 (1)
Weight, g/mol:	488.198108
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	5.17
IP(EA), eV:	-8.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[6-[[amino(phenyl)methylidene]amino]sulfonyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethoxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations