Geometry & MOs

Info

ID:	140195
PubChem CID:	52660006
Reduced:	ClFO2N4C22H26 (1)
Stoich.:	ABC2D4E22F26 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	2.64
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)CNC(=O)NCC2=CC=C(C=C2)F)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations