Geometry & MOs

Info

ID:	146942
PubChem CID:	53775298
Reduced:	SCl2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	443.173273
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	4.64
IP(EA), eV:	-8.19(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-ylidene]methyl]phenyl]butanamide

Drug info:

PubChemData

Smile

C1CC(C2CCC(S2)C(CCC=C1)Cl)Cl

DOS

IR

Vibrations