Geometry & MOs

Info

ID:	204686
PubChem CID:	79997078
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	435.84704
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	6.74
IP(EA), eV:	-9.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CCC(CC)N(C)C(=O)C1=CC(=C(S1)/C=C/C(=O)O)C

DOS

IR

Vibrations