Geometry & MOs

Info

ID:	60032
PubChem CID:	26665273
Reduced:	S2N4O4C21H24 (1)
Stoich.:	A2B4C4D21E24 (1)
Weight, g/mol:	350.060194
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	5.33
IP(EA), eV:	-8.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(3,4-difluorobenzoyl)oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations