Geometry & MOs

Info

ID:	148340
PubChem CID:	53788002
Reduced:	FO2N7H20C21 (1)
Stoich.:	AB2C7D20E21 (1)
Weight, g/mol:	421.166251
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	5.78
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-fluoro-4-[(5-oxopyrrolidin-2-yl)methoxy]-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1COC2=CC(=CC3=C2N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C(=N)N)F

DOS

IR

Vibrations