Geometry & MOs

Info

ID:	34690
PubChem CID:	7978829
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	416.115441
ΔH_f, kcal/mol:	-168.66
Dipole, Da:	4.68
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations