Geometry & MOs

Info

ID:	67788
PubChem CID:	46507170
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	4.24
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5-sulfanylidene-4H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN1C2=C(C(=N1)C)NC(=S)N(C2=O)CC3=CC=CC=C3OC

DOS

IR

Vibrations