Geometry & MOs

Info

ID:	387322
PubChem CID:	134984920
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	243.075625
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	5.31
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-4-[2-(cyanomethylimino)hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC2N1S(=O)(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations