Geometry & MOs

Info

ID:	147916
PubChem CID:	53787576
Reduced:	PN3O5C10H22 (1)
Stoich.:	AB3C5D10E22 (1)
Weight, g/mol:	541.110806
ΔH_f, kcal/mol:	-305.52
Dipole, Da:	1.49
IP(EA), eV:	-9.72(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[[7-methoxy-6-(propylcarbamothioylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)NC(=O)[C@H](C)N

DOS

IR

Vibrations