Geometry & MOs

Info

ID:	322814
PubChem CID:	126671242
Reduced:	ClS2O7N9C52H58 (1)
Stoich.:	AB2C7D9E52F58 (1)
Weight, g/mol:	132.095043
ΔH_f, kcal/mol:	-165.79
Dipole, Da:	6.09
IP(EA), eV:	-8.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-fluoro-4-methylcyclohexan-1-ol

Drug info:

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC(=CC=C4)OCCCOCC(=O)NC(C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations