Geometry & MOs

Info

ID:	56252
PubChem CID:	17422851
Reduced:	ON3S3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-oxoquinazolin-3-yl)butanoylamino]acetate

Drug info:

PubChemData

Smile

CC(C)SC1=NN=C(S1)SC(C)C(=O)NC2CCCC2

DOS

IR

Vibrations