Geometry & MOs

Info

ID:	46940
PubChem CID:	10528544
Reduced:	NF3O7C22H28 (1)
Stoich.:	AB3C7D22E28 (1)
Weight, g/mol:	475.200825
ΔH_f, kcal/mol:	-458.89
Dipole, Da:	6.71
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-5-(benzotriazol-1-yl)-1-benzyl-3-(4-methoxyphenyl)-4-phenylimidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)OC)/C=C(\CC(=O)OC)/C(=O)OC)CC(F)(F)F

DOS

IR

Vibrations