Geometry & MOs

Info

ID:	131868
PubChem CID:	51271860
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	3.65
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)ethyl 3-(4-oxoquinazolin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCC(=O)NC(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations