Geometry & MOs

Info

ID:	43068
PubChem CID:	10318294
Reduced:	NS2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	2.94
IP(EA), eV:	-9.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(oxan-4-yl)-5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(OC=C2)S(=O)(=O)C3=CC=CC=N3

DOS

IR

Vibrations