Geometry & MOs

Info

ID:	321875
PubChem CID:	126667132
Reduced:	INSC4H6 (1)
Stoich.:	ABCD4E6 (1)
Weight, g/mol:	436.16706
ΔH_f, kcal/mol:	41.45
Dipole, Da:	4.71
IP(EA), eV:	-8.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,6-difluorocyclohexa-1,3-dien-1-yl)methyl]-4-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C/NC=S)/I

DOS

IR

Vibrations