Geometry & MOs

Info

ID:	46887
PubChem CID:	10528158
Reduced:	FO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	465.18009
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	12.29
IP(EA), eV:	-9.24(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-(benzotriazol-1-yl)-1-benzyl-4-(furan-2-yl)-3-(4-methoxyphenyl)imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4CC(/C(=N/OCC5=CC=CC=C5)/C4)CN)F)C(=O)O

DOS

IR

Vibrations