Geometry & MOs

Info

ID:	138071
PubChem CID:	52307108
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	327.101468
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	6.82
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)sulfonyl-3-(ethoxycarbonylamino)propanimidate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations