Geometry & MOs

Info

ID:	185287
PubChem CID:	77281638
Reduced:	OS2N4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	510.204925
ΔH_f, kcal/mol:	56.82
Dipole, Da:	5.23
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-anilinoethyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-7aH-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C2C(=NC(=NC2=O)N)S1)SC3=CC=NC=C3

DOS

IR

Vibrations