Geometry & MOs

Info

ID:	54028
PubChem CID:	14719620
Reduced:	N2S2O8C21H30 (1)
Stoich.:	A2B2C8D21E30 (1)
Weight, g/mol:	402.091929
ΔH_f, kcal/mol:	-358.49
Dipole, Da:	6.71
IP(EA), eV:	-9.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(acetylsulfanylmethyl)-3-morpholin-4-ylpropanoyl]amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=O)SCC(CC1CN(CCO1)C(=O)OC(C)(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

DOS

IR

Vibrations