Geometry & MOs

Info

ID:	228910
PubChem CID:	87566189
Reduced:	ON3F6H23C25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	394.04159
ΔH_f, kcal/mol:	-275.4
Dipole, Da:	4.56
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl (E)-3-(3-bromo-1,4-dimethoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[C@@H](CCC2=CN=C(C=C2)C(F)(F)F)N[C@@H](C3=C(C(=CC=C3)F)F)C(=O)NC)F

DOS

IR

Vibrations