Geometry & MOs

Info

ID:	15709
PubChem CID:	447729
Reduced:	NSO4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	321.103479
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	3.87
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(6S)-6-hydroxycyclohex-3-en-1-yl]amino]-7,8-dihydronaphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

C1C=CCC([C@H]1O)NC2CC=CC3=C2C(=CC=C3)S(=O)(=O)O

DOS

IR

Vibrations