Geometry & MOs

Info

ID:	128540
PubChem CID:	51049480
Reduced:	SN2O7C26H30 (1)
Stoich.:	AB2C7D26E30 (1)
Weight, g/mol:	636.193023
ΔH_f, kcal/mol:	-257.36
Dipole, Da:	6.94
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)O

DOS

IR

Vibrations