Geometry & MOs

Info

ID:

232156

PubChem CID:

87575616

Reduced:

Cl3N8O10C46H55 (1)

Stoich.:

A3B8C10D46E55 (1)

Weight, g/mol:

391.177503

ΔHf, kcal/mol:

-333.14

Dipole, Da:

15.13

IP(EA), eV:

 -8.81(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)OC(C)(C)C(=O)NCCOCCOCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)C4=CC=C(C=C4)NC)N(N1)C5=C(C=C(C=C5Cl)Cl)Cl

DOS

IR

Vibrations