Geometry & MOs

Info

ID:

80934

PubChem CID:

49853950

Reduced:

SO2N7C20H27 (1)

Stoich.:

AB2C7D20E27 (1)

Weight, g/mol:

463.263655

ΔHf, kcal/mol:

-38.32

Dipole, Da:

4.72

IP(EA), eV:

 -8.52(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CCC[C@@]4(C)C(=O)N

DOS

IR

Vibrations