Geometry & MOs

Info

ID:	401798
PubChem CID:	135052643
Reduced:	ClNOPSiS2C24H29 (1)
Stoich.:	ABCDEF2G24H29 (1)
Weight, g/mol:	162.993929
ΔH_f, kcal/mol:	-175.61
Dipole, Da:	4.91
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-but-3-yn-2-ylideneamino] hydrogen sulfate

Drug info:

PubChemData

Smile

C[Si](C)(C)C1([C@]2(SC(=O)[C@@](P1Cl)(S2)C3=CC=CC=C3)N4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations