Geometry & MOs

Info

ID:	81207
PubChem CID:	49854464
Reduced:	SO3N7C24H33 (1)
Stoich.:	AB3C7D24E33 (1)
Weight, g/mol:	416.16306
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	3.27
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-hydroxypyrrolidine-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)CN5CCOCC5

DOS

IR

Vibrations