Geometry & MOs

Info

ID:	32445
PubChem CID:	7836068
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	397.062008
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	3.72
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-2-oxochromen-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

DOS

IR

Vibrations