Geometry & MOs

Info

ID:	178052
PubChem CID:	76270056
Reduced:	ClSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	435.06557
ΔH_f, kcal/mol:	-177.78
Dipole, Da:	3.56
IP(EA), eV:	-9.01(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)COC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations