Geometry & MOs

Info

ID:	182278
PubChem CID:	76869798
Reduced:	SF2O2N3H13C20 (1)
Stoich.:	AB2C2D3E13F20 (1)
Weight, g/mol:	425.00295
ΔH_f, kcal/mol:	26.06
Dipole, Da:	2.11
IP(EA), eV:	-9.3(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromopyridin-3-yl) 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC2C(=CC(=NC2=O)C(=O)NC3=NC=C(S3)CC4=C(C=C(C=C4)F)F)C=C1

DOS

IR

Vibrations