Geometry & MOs

Info

ID:	243765
PubChem CID:	99234691
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	468.081364
ΔH_f, kcal/mol:	-132.99
Dipole, Da:	10.15
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonamido)ethyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations