Geometry & MOs

Info

ID:	141975
PubChem CID:	52960337
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	332.067618
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	7.74
IP(EA), eV:	-8.95(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(Z)-7aH-1,3-benzoxazol-2-ylideneamino]-4-(chloromethyl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=NC(=NC(=O)CN3CCOCC3)SC2C=C1

DOS

IR

Vibrations