Geometry & MOs

Info

ID:	240005
PubChem CID:	93575592
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	8.49
IP(EA), eV:	-9.2(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](C)C1=NC2=CC=CC=C2N1CC(=O)NCC(C)C

DOS

IR

Vibrations