Geometry & MOs

Info

ID:

81206

PubChem CID:

49854463

Reduced:

SO3N7C22H29 (1)

Stoich.:

AB3C7D22E29 (1)

Weight, g/mol:

499.236559

ΔHf, kcal/mol:

-88.09

Dipole, Da:

5.89

IP(EA), eV:

 -9.08(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC3=C(S2)C4=NC(=NC=C4CC3)C(C)(C)C

DOS

IR

Vibrations