Geometry & MOs

Info

ID:	446552
PubChem CID:	135275925
Reduced:	FN3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	401.133065
ΔH_f, kcal/mol:	56.19
Dipole, Da:	3.24
IP(EA), eV:	-8.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis[2-(2-methoxyethoxy)ethyl]amino]-3-methylthieno[3,2-b]pyran-7-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(C=CC(=N2)C3=NC4C=CC=CC4=CN3)C)F

DOS

IR

Vibrations