Geometry & MOs

Info

ID:	135014
PubChem CID:	51797190
Reduced:	ClO2F3N3H25C27 (1)
Stoich.:	AB2C3D3E25F27 (1)
Weight, g/mol:	488.223056
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	3.79
IP(EA), eV:	-9.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-chloro-N-(2-phenylacetyl)anilino)-N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC=C(C=C2)C(F)(F)F)N(C3=CC(=CC=C3)Cl)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations