Geometry & MOs

Info

ID:	155305
PubChem CID:	56352891
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	4.83
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations