Geometry & MOs

Info

ID:	188355
PubChem CID:	77703733
Reduced:	N5O6C21H29 (1)
Stoich.:	A5B6C21D29 (1)
Weight, g/mol:	550.107973
ΔH_f, kcal/mol:	-230.13
Dipole, Da:	3.67
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[4-[2-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]ethyl]phenyl]sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC3=C(C=C2)C4C(CCC3)C(NN4)NC(=O)C(CO)O

DOS

IR

Vibrations