Geometry & MOs

Info

ID:	128538
PubChem CID:	51049364
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	3.1
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CN2C(=O)C=CC(=N2)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations