Geometry & MOs

Info

ID:	125516
PubChem CID:	50927547
Reduced:	ClSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	7.04
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations