Geometry & MOs

Info

ID:	303554
PubChem CID:	124489898
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	3.1
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=NC=CS4

DOS

IR

Vibrations