Geometry & MOs

Info

ID:	302073
PubChem CID:	124349208
Reduced:	ClSN2O5H21C22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-140.08
Dipole, Da:	8.99
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-4-(2-methylpropyl)-1,5-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations