Geometry & MOs

Info

ID:	149042
PubChem CID:	53788713
Reduced:	S3O7N10C22H26 (1)
Stoich.:	A3B7C10D22E26 (1)
Weight, g/mol:	376.138284
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	6.8
IP(EA), eV:	-9.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-carbamoyl-6-methoxy-5-methyl-2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

COC(=O)CCN1C(=NN=N1)SCC2=C(N3[C@H](C(C3=O)NC(=O)C(=NOC4CCCC4)C5=NSC(=N5)N)SC2)C(=O)O

DOS

IR

Vibrations