Geometry & MOs

Info

ID:

436428

PubChem CID:

135202643

Reduced:

FON7C25H26 (1)

Stoich.:

ABC7D25E26 (1)

Weight, g/mol:

589.281281

ΔHf, kcal/mol:

49.46

Dipole, Da:

4.68

IP(EA), eV:

 -8.66(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[[4-(2,3-dioxo-1-propan-2-ylindol-6-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3F)NC4=NC5=C(CN(CC5)CC=O)C=C4

DOS

IR

Vibrations