Geometry & MOs

Info

ID:

82124

PubChem CID:

49855649

Reduced:

O4N5C24H33 (1)

Stoich.:

A4B5C24D33 (1)

Weight, g/mol:

505.280138

ΔHf, kcal/mol:

-136.35

Dipole, Da:

6.9

IP(EA), eV:

 -8.8(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-3-[4-[(7R)-7-methyl-7-[2-(2-methylimidazol-1-yl)ethyl]-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CO[C@@]3(C)CCCO)C(=N2)N4CCOC[C@@H]4C

DOS

IR

Vibrations