Geometry & MOs

Info

ID:	194224
PubChem CID:	78501046
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	29.73
Dipole, Da:	4.0
IP(EA), eV:	-8.78(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9bH-perimidin-2-ylsulfanyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)NC(=O)CSC2=NC3=CC=CC4=CC=CC(=N2)C43

DOS

IR

Vibrations