Geometry & MOs

Info

ID:	208507
PubChem CID:	80538641
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	465.78087
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	5.77
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bromo-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)NCCC(C)C(=O)O

DOS

IR

Vibrations