Geometry & MOs

Info

ID:

299635

PubChem CID:

117688236

Reduced:

N5O8C29H39 (1)

Stoich.:

A5B8C29D39 (1)

Weight, g/mol:

537.258734

ΔHf, kcal/mol:

-283.82

Dipole, Da:

5.65

IP(EA), eV:

 -8.43(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [(3R)-3-[[4-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]amino]pyrrolidin-1-yl] carbonate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC(CNC(=O)COC1CC(N(C1)OC(=O)OCC2=CC=CC=C2)CNC3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations