Geometry & MOs

Info

ID:

444530

PubChem CID:

135262747

Reduced:

SN2O7C33H40 (1)

Stoich.:

AB2C7D33E40 (1)

Weight, g/mol:

492.284889

ΔHf, kcal/mol:

-253.93

Dipole, Da:

2.12

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methoxy-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]azetidin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=CC(=C2)CN(C3=CN=C(C=C3)[C@H]4C[C@@H]4C(=O)O)C(=O)OC(C)(C)C)C)OCCCS(=O)(=O)C

DOS

IR

Vibrations