Geometry & MOs

Info

ID:

436424

PubChem CID:

135202258

Reduced:

N3O10C34H41 (1)

Stoich.:

A3B10C34D41 (1)

Weight, g/mol:

535.25073

ΔHf, kcal/mol:

-412.0

Dipole, Da:

8.74

IP(EA), eV:

 -9.15(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/C(=O)OCC)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations