Geometry & MOs

Info

ID:	445247
PubChem CID:	135265475
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	415.118651
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	4.16
IP(EA), eV:	-8.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 5-chloropentanoate

Drug info:

PubChemData

Smile

CNC(CCSC)C(=O)OC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC

DOS

IR

Vibrations