Geometry & MOs

Info

ID:	37141
PubChem CID:	8017379
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	392.95158
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	1.92
IP(EA), eV:	-8.95(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](C)OC(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations