Geometry & MOs

Info

ID:	339535
PubChem CID:	127261525
Reduced:	SN2O6C20H34 (1)
Stoich.:	AB2C6D20E34 (1)
Weight, g/mol:	496.97727
ΔH_f, kcal/mol:	-284.21
Dipole, Da:	6.84
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dibromo-2-methyl-4-oxo-1-phenyl-2H-quinazolin-3-yl)ethyl 2-aminoacetate

Drug info:

PubChemData

Smile

CCCCC/C=C/C=C/C(C(CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N

DOS

IR

Vibrations