Geometry & MOs

Info

ID:	218152
PubChem CID:	85088956
Reduced:	O2N4H20C27 (1)
Stoich.:	A2B4C20D27 (1)
Weight, g/mol:	440.220575
ΔH_f, kcal/mol:	106.22
Dipole, Da:	6.93
IP(EA), eV:	-9.27(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-3,3a,4,5,6,7a-hexahydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1C(C1C2=CC=CC=C2)CC(=O)NC3=CC4=C5C(=C3)N=C(C5=CN=NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations