Geometry & MOs

Info

ID:	388444
PubChem CID:	134989180
Reduced:	N4S8C30H33 (2)
Stoich.:	A4B8C30D33 (2)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	536.16
Dipole, Da:	22.06
IP(EA), eV:	-7.81(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-2-methylchromene-4-thione

Drug info:

PubChemData

Smile

C1CSCCSC2=CC3=C4NC(=C3C=C2SCCSC1)N=C5C6=CC7=C(C=C6C(=N5)N=C8C9=CC1=C(C=C9C(=N8)N=C2C3=CC5=C(C=C3C(=N4)N2)SCCSCCCSCCS5)SCCSCCCSCCS1)SCCSCCCSCCS7

DOS

IR

Vibrations