Geometry & MOs

Info

ID:	128541
PubChem CID:	51049481
Reduced:	SN2O7H32C36 (1)
Stoich.:	AB2C7D32E36 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-176.28
Dipole, Da:	8.67
IP(EA), eV:	-8.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations