Geometry & MOs

Info

ID:	320286
PubChem CID:	126659267
Reduced:	ClFN2O3H28C29 (1)
Stoich.:	ABC2D3E28F29 (1)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	5.08
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(E)-N-[(4-cyclohexyl-3-ethylphenyl)methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC3=CC(=C(N=C3C=C2)[C@@H]4CC=C(C=C4)F)CCCCC(=O)O

DOS

IR

Vibrations