Geometry & MOs

Info

ID:	81024
PubChem CID:	49854264
Reduced:	SO3N7C19H25 (1)
Stoich.:	AB3C7D19E25 (1)
Weight, g/mol:	431.173959
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	3.44
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C[C@H](C[C@H]4C(=O)N)O

DOS

IR

Vibrations