Geometry & MOs

Info

ID:	22823
PubChem CID:	598931
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-137.16
Dipole, Da:	11.33
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

DOS

IR

Vibrations