Geometry & MOs

Info

ID:	149630
PubChem CID:	53789304
Reduced:	ClS3N4O8H21C25 (1)
Stoich.:	AB3C4D8E21F25 (1)
Weight, g/mol:	411.293743
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	12.06
IP(EA), eV:	-9.51(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[4-[[4-(4-propylphenyl)cyclohexyl]oxymethyl]cyclohexyl]pent-2-enenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NN=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)C

DOS

IR

Vibrations