Geometry & MOs

Info

ID:	158960
PubChem CID:	57244301
Reduced:	NPO2C9H19 (1)
Stoich.:	ABC2D9E19 (1)
Weight, g/mol:	395.059422
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	7.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753580
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)[P+](CCCN)(O)O

DOS

IR

Vibrations