Geometry & MOs

Info

ID:	81297
PubChem CID:	49854569
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	457.225994
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	7.51
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, 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-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC3=C(S2)C4=C(C=NC(=C4)C)OC3

DOS

IR

Vibrations