Geometry & MOs

Info

ID:	185284
PubChem CID:	77281072
Reduced:	ClON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	477.187541
ΔH_f, kcal/mol:	39.44
Dipole, Da:	3.28
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]propyl]amino]-3,4-dioxocyclobutyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CCCC3=NC(=O)C4C=CC=C(C4=N3)Cl

DOS

IR

Vibrations