Geometry & MOs

Info

ID:

375598

PubChem CID:

134214069

Reduced:

OS5N7C23H23 (1)

Stoich.:

AB5C7D23E23 (1)

Weight, g/mol:

530.275387

ΔHf, kcal/mol:

86.37

Dipole, Da:

4.37

IP(EA), eV:

 -8.18(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[6-[1-[2-(2-hydroxypyrrolidin-1-yl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NC(=S)/C(=C/2\C=C(N=CN2)NC[C@@H](C)C3=CC=CC4=C(C=CN=C43)C(=O)NC(S)(S)S)/C(=S)N1

DOS

IR

Vibrations