Geometry & MOs

Info

ID:	322055
PubChem CID:	126668437
Reduced:	O2S2F8H18C25 (1)
Stoich.:	A2B2C8D18E25 (1)
Weight, g/mol:	469.12526
ΔH_f, kcal/mol:	-389.58
Dipole, Da:	4.78
IP(EA), eV:	-8.97(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[1-(4-bromophenyl)ethyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CSCCC1=C(C=CC(=C1)C(F)(F)F)C2CCOC3=C2C=CC(=C3)SOC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations