Geometry & MOs

Info

ID:	302493
PubChem CID:	124361955
Reduced:	FON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	525.20459
ΔH_f, kcal/mol:	-6.74
Dipole, Da:	2.95
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1[C@@H]3[C@H](C2)C3(C)C)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations