Geometry & MOs

Info

ID:	319741
PubChem CID:	126657150
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	585.05831
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	4.98
IP(EA), eV:	-8.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(4R)-7-[4-(2-iodosulfanylethynyl)-N-methylanilino]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC3=C(C=C2)C(CCO3)CNC4=C(C=CN=C4)C(=O)O

DOS

IR

Vibrations