Geometry & MOs

Info

ID:	62148
PubChem CID:	26717765
Reduced:	BrN3O5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)sulfonylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations