Geometry & MOs

Info

ID:	140312
PubChem CID:	52681057
Reduced:	F2O2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	439.198145
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	6.96
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-1-(1H-imidazol-3-ium-3-yl)propan-2-yl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1CCC(=O)NC2=CC=C(C=C2)F)CCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations