Geometry & MOs

Info

ID:	135069
PubChem CID:	51808101
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	408.122932
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	1.17
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=CO1)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=CO2

DOS

IR

Vibrations