Geometry & MOs

Info

ID:	195745
PubChem CID:	78729822
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	356.161031
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	8.07
IP(EA), eV:	-8.03(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-[(4-oxo-4aH-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCC2=NC(=O)C3=CC(C(=CC3=N2)OC)OC)C

DOS

IR

Vibrations