Geometry & MOs

Info

ID:	194316
PubChem CID:	78514689
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	413.114234
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	7.4
IP(EA), eV:	-9.09(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-(4-oxo-4aH-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations