Geometry & MOs

Info

ID:	240029
PubChem CID:	93575843
Reduced:	BrO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	4.29
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)Br)NC(=O)C(C)C

DOS

IR

Vibrations