Geometry & MOs

Info

ID:

168527

PubChem CID:

74982825

Reduced:

SO3N8C30H30 (1)

Stoich.:

AB3C8D30E30 (1)

Weight, g/mol:

443.160497

ΔHf, kcal/mol:

37.84

Dipole, Da:

7.56

IP(EA), eV:

 -9.58(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-4-(4-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-8-[2-hydroxyethyl(methyl)amino]-2-morpholin-4-yl-1H-pyrido[3,2-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CC2=CC(=CC=C2)CC(=O)NC3=NN=C(C=C3)CCCCC4=NN=C(S4)NC(=O)CC5=CC=CC=C5

DOS

IR

Vibrations