Geometry & MOs

Info

ID:	39907
PubChem CID:	8143180
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	387.084906
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	8.17
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(2-chloroanilino)-3,3,3-trifluoro-2-(4-hydroxy-3,5-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC(=C3)C(=O)NC

DOS

IR

Vibrations