Geometry & MOs

Info

ID:	81023
PubChem CID:	49854263
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	431.173959
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	2.49
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-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

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

DOS

IR

Vibrations