Geometry & MOs

Info

ID:	427601
PubChem CID:	135160424
Reduced:	SN5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	171.108171
ΔH_f, kcal/mol:	62.26
Dipole, Da:	5.19
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-ethenyl-4-(methylamino)hex-2-ene-2-thiol

Drug info:

PubChemData

Smile

CC1=NC(=C2C=C(SC2=N1)C3CCCCC3)CN4CCC(=C(C4)N)C=N

DOS

IR

Vibrations