Geometry & MOs

Info

ID:	193317
PubChem CID:	78375394
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	391.180387
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	3.57
IP(EA), eV:	-8.97(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=O)C2C=CC(=CC2=NC1=S)C(=O)N3CCOCC3

DOS

IR

Vibrations