Geometry & MOs

Info

ID:	127149
PubChem CID:	50992868
Reduced:	N3O3F6C29H33 (1)
Stoich.:	A3B3C6D29E33 (1)
Weight, g/mol:	547.169446
ΔH_f, kcal/mol:	-433.76
Dipole, Da:	8.55
IP(EA), eV:	-8.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCNC(=O)OC(C)(C)C)OC)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations