Geometry & MOs

Info

ID:	318730
PubChem CID:	126652934
Reduced:	BrNF3O3H23C25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	474.10646
ΔH_f, kcal/mol:	-204.2
Dipole, Da:	3.0
IP(EA), eV:	-9.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[[(4-bromophenyl)-deuteriomethyl]-(cyclohexanecarbonyl)amino]-5-fluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC(=CC(=C1)F)N(C(C2=C(C=C(C=C2)Br)F)F)C(=O)C3CC4CCC3C4

DOS

IR

Vibrations