Geometry & MOs

Info

ID:	190350
PubChem CID:	77990436
Reduced:	O5C30H48 (1)
Stoich.:	A5B30C48 (1)
Weight, g/mol:	563.067706
ΔH_f, kcal/mol:	-253.44
Dipole, Da:	6.93
IP(EA), eV:	-9.79(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(N-propylsulfonylanilino)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CC(C4(C3(CC2O)C)C)O)(C)C)O)C)C(=O)O)C

DOS

IR

Vibrations