Geometry & MOs

Info

ID:	128542
PubChem CID:	51049482
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	471.146407
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	8.31
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC(C(=O)NCC(=O)N)N

DOS

IR

Vibrations