Geometry & MOs

Info

ID:	443626
PubChem CID:	135259582
Reduced:	N2O2C29H40 (1)
Stoich.:	A2B2C29D40 (1)
Weight, g/mol:	426.161329
ΔH_f, kcal/mol:	-70.95
Dipole, Da:	1.82
IP(EA), eV:	-8.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-N-methyl-3-(2-thiomorpholin-4-ylethoxy)anilino]chromen-2-one

Drug info:

PubChemData

Smile

CCCO[C@H]1CC[C@@H](C2=CC=CC=C12)NCCC3(CCOC4(C3)CCCC4)C5=CC=CC=N5

DOS

IR

Vibrations