Geometry & MOs

Info

ID:	193031
PubChem CID:	78337567
Reduced:	SO3N5C27H33 (1)
Stoich.:	AB3C5D27E33 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-72.82
Dipole, Da:	4.99
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-(4-oxo-4aH-quinazolin-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3NN=C(N3C4CCCCC4C2=O)SCC(=O)C5=C(C(=C(N5)C)C(=O)C)C

DOS

IR

Vibrations