Geometry & MOs

Info

ID:	67322
PubChem CID:	46506275
Reduced:	SN3O4C32H39 (1)
Stoich.:	AB3C4D32E39 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	5.56
IP(EA), eV:	-7.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC=C(C=C3)SC)C4=CC=CC(=C4)C

DOS

IR

Vibrations