Geometry & MOs

Info

ID:	154998
PubChem CID:	56314561
Reduced:	SN2F3O5C18H19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	440.08479
ΔH_f, kcal/mol:	-307.52
Dipole, Da:	4.23
IP(EA), eV:	-9.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromobenzoyl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC(=NC=C2)OCC(F)(F)F

DOS

IR

Vibrations