Geometry & MOs

Info

ID:	60006
PubChem CID:	26663050
Reduced:	S2N3O5C23H27 (1)
Stoich.:	A2B3C5D23E27 (1)
Weight, g/mol:	477.109149
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	3.86
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorobenzoyl)amino]phenyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CNC(=O)CCSCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)OC)OC

DOS

IR

Vibrations