Geometry & MOs

Info

ID:	405749
PubChem CID:	135075295
Reduced:	NOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	214.027574
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	4.11
IP(EA), eV:	-9.14(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(3S)-hept-4-yn-3-yl] sulfate

Drug info:

PubChemData

Smile

C[C@H](CCC=C(C)CCC=C(C)C)NC(=O)C

DOS

IR

Vibrations