Geometry & MOs

Info

ID:	49355
PubChem CID:	11532904
Reduced:	N2O5C27H38 (1)
Stoich.:	A2B5C27D38 (1)
Weight, g/mol:	470.154529
ΔH_f, kcal/mol:	-201.36
Dipole, Da:	7.43
IP(EA), eV:	-8.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylsulfonylamino)-4-(4-methoxyphenoxy)phenyl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCNC(=O)N(C)C1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCOC

DOS

IR

Vibrations