Geometry & MOs

Info

ID:	320066
PubChem CID:	126658125
Reduced:	FN4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	521.280218
ΔH_f, kcal/mol:	50.4
Dipole, Da:	4.3
IP(EA), eV:	-8.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(2S)-2-[6-[(2R)-1-(4-tert-butylphenyl)pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NCC2=CN=C(C3=C2C=CC(=C3)C4=CC(=CC=C4)F)N

DOS

IR

Vibrations