Geometry & MOs

Info

ID:	62415
PubChem CID:	26719693
Reduced:	SCl2N2O2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	319.016684
ΔH_f, kcal/mol:	-13.33
Dipole, Da:	7.11
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations