Geometry & MOs

Info

ID:	192479
PubChem CID:	78274161
Reduced:	ClN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	468.19436
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	6.47
IP(EA), eV:	-8.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-1-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)COC(=O)C3C4CCCCC4NN3

DOS

IR

Vibrations