Geometry & MOs

Info

ID:	81022
PubChem CID:	49854262
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	2.5
IP(EA), eV:	-8.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CCC4C(=O)N

DOS

IR

Vibrations