Geometry & MOs

Info

ID:	303559
PubChem CID:	124489903
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	2.48
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4C(=O)N3C

DOS

IR

Vibrations