Geometry & MOs

Info

ID:	141524
PubChem CID:	52888682
Reduced:	N2O2S3C20H20 (1)
Stoich.:	A2B2C3D20E20 (1)
Weight, g/mol:	358.060801
ΔH_f, kcal/mol:	27.62
Dipole, Da:	3.14
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[(7-methyl-2-oxochromen-4-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCCCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations