Geometry & MOs

Info

ID:	81021
PubChem CID:	49854261
Reduced:	SO2N7C25H29 (1)
Stoich.:	AB2C7D25E29 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	5.77
IP(EA), eV:	-8.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CCN(CC)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C(CCC4C(=O)N)C5=CC=CC=C5

DOS

IR

Vibrations