Geometry & MOs

Info

ID:	162741
PubChem CID:	57561476
Reduced:	FN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	521.233286
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	8.21
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2-chlorophenoxy)methyl]-2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoate

Drug info:

PubChemData

Smile

COC1=CC2=C(CN(C2=O)C[C@@]3(C(=O)NC(=O)N3)CCC4=CC=C(C=C4)F)C=C1

DOS

IR

Vibrations