Geometry & MOs

Info

ID:	68031
PubChem CID:	46507631
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	358.076513
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	8.46
IP(EA), eV:	-9.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(3,4-difluorophenyl)carbamoyl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CSC1=C(C(=O)C2=CC=CC=C2N1)C(=O)O

DOS

IR

Vibrations