Geometry & MOs

Info

ID:	314242
PubChem CID:	126621004
Reduced:	ClSO3N6C18H21 (1)
Stoich.:	ABC3D6E18F21 (1)
Weight, g/mol:	163.012556
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	2.84
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(disulfanyl)-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCS(=N)(=O)CC5)Cl

DOS

IR

Vibrations