Geometry & MOs

Info

ID:	240028
PubChem CID:	93575839
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	442.10044
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	6.19
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(3-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)NC(=O)C(C)C

DOS

IR

Vibrations