Geometry & MOs

Info

ID:	170031
PubChem CID:	75185394
Reduced:	ClSN4O4C23H29 (1)
Stoich.:	ABC4D4E23F29 (1)
Weight, g/mol:	511.138437
ΔH_f, kcal/mol:	-153.21
Dipole, Da:	9.62
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C2C=CSC2C(=O)N(C1=O)CCC(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations