Geometry & MOs

Info

ID:	34950
PubChem CID:	7979125
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	342.040734
ΔH_f, kcal/mol:	-237.61
Dipole, Da:	5.32
IP(EA), eV:	-9.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-chlorobenzoyl)-2-oxochromene-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)COC(=O)[C@@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations