Geometry & MOs

Info

ID:	49816
PubChem CID:	11533893
Reduced:	SiO2C15H27 (2)
Stoich.:	AB2C15D27 (2)
Weight, g/mol:	435.100125
ΔH_f, kcal/mol:	-276.55
Dipole, Da:	2.83
IP(EA), eV:	-8.89(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]pyrimidin-4-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

C/C/1=C/CC[C@H]([C@H](O[C@H](C1)COCC2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations