Geometry & MOs

Info

ID:	389002
PubChem CID:	134990868
Reduced:	O2Br3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	421.01366
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	2.73
IP(EA), eV:	-10.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-[4-bromo-3-(difluoromethoxy)-2-fluorobenzoyl]-3-(cyclopropylamino)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@](C4=CC(=O)C(C[C@]34C)Br)(CBr)Br

DOS

IR

Vibrations