Geometry & MOs

Info

ID:	67397
PubChem CID:	46506404
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	357.033876
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	7.59
IP(EA), eV:	-8.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations