Geometry & MOs

Info

ID:	157369
PubChem CID:	56423130
Reduced:	O2S2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	39.79
Dipole, Da:	8.53
IP(EA), eV:	-8.91(-1.07)
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-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COC1=C(SC(=C1)C2=CC=CC=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations