Geometry & MOs

Info

ID:	297087
PubChem CID:	117608322
Reduced:	SO3N4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	366.07712
ΔH_f, kcal/mol:	4.77
Dipole, Da:	4.66
IP(EA), eV:	-8.38(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3-[2-(3,5-dimethylanilino)-1,3-oxazol-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NC=N1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=CC=C4OC

DOS

IR

Vibrations