Geometry & MOs

Info

ID:	425228
PubChem CID:	135125578
Reduced:	SF2O3N5C21H21 (1)
Stoich.:	AB2C3D5E21F21 (1)
Weight, g/mol:	252.09662
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	6.79
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethyldisulfanyl]butylcarbamic acid

Drug info:

PubChemData

Smile

CC(C#C)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)C3(CS(=O)(=O)N(C(=N3)N)C)C)/F

DOS

IR

Vibrations