Geometry & MOs

Info

ID:	157410
PubChem CID:	56424029
Reduced:	ClSO2N3C22H28 (1)
Stoich.:	ABC2D3E22F28 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-83.45
Dipole, Da:	3.51
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxo-1H-quinazolin-2-yl)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCCC1=NC2=C(S1)CCCC2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations