Geometry & MOs

Info

ID:	140235
PubChem CID:	52667989
Reduced:	ClSN2O4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	413.07389
ΔH_f, kcal/mol:	-61.69
Dipole, Da:	2.15
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)cyclopropyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NNC(=O)C3=CC=C(S3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations