Geometry & MOs

Info

ID:	350588
PubChem CID:	127278623
Reduced:	ClSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-157.17
Dipole, Da:	5.8
IP(EA), eV:	-8.58(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations