Geometry & MOs

Info

ID:	123255
PubChem CID:	50839570
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	7.26
Dipole, Da:	4.06
IP(EA), eV:	-7.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)C3=NC=CC4=C3C=CN4CC5=CC=CC=C5

DOS

IR

Vibrations