Geometry & MOs

Info

ID:	165765
PubChem CID:	74594926
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	477.240976
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	6.17
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC(=NC2=O)C(C)N3CCC(CC3)C(=O)N)S1)C

DOS

IR

Vibrations