Geometry & MOs

Info

ID:

81298

PubChem CID:

49854572

Reduced:

SO2N7C22H31 (1)

Stoich.:

AB2C7D22E31 (1)

Weight, g/mol:

498.166094

ΔHf, kcal/mol:

-39.66

Dipole, Da:

3.31

IP(EA), eV:

 -8.82(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-(methoxymethyl)-1-N-[8-(1,1,1-trifluoro-2-methylpropan-2-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CC[C@H]([C@H]4C(=O)N)CN(C)C

DOS

IR

Vibrations