Geometry & MOs

Info

ID:	315698
PubChem CID:	126628585
Reduced:	NS2F3O4C6H7 (2)
Stoich.:	AB2C3D4E6F7 (2)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-599.88
Dipole, Da:	9.65
IP(EA), eV:	-9.84(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-aminophenyl)-6-methylidenecyclohexa-1,3-diene-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=CC(=CC=C1)CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C

DOS

IR

Vibrations