Geometry & MOs

Info

ID:	434405
PubChem CID:	135174885
Reduced:	NOF2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	517.07678
ΔH_f, kcal/mol:	-198.43
Dipole, Da:	2.68
IP(EA), eV:	-9.11(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxybenzoyl]amino]ethyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)NCC(COC(C)(C)C)(F)F

DOS

IR

Vibrations