Geometry & MOs

Info

ID:	194315
PubChem CID:	78514344
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-196.65
Dipole, Da:	2.89
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 4-(4-oxo-4aH-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1NC2C(C(=C(S2)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C)C)C(=O)N1

DOS

IR

Vibrations