Geometry & MOs

Info

ID:	123256
PubChem CID:	50839748
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	288.068097
ΔH_f, kcal/mol:	-65.99
Dipole, Da:	4.62
IP(EA), eV:	-8.52(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations