Geometry & MOs

Info

ID:	447491
PubChem CID:	135283321
Reduced:	ClSF2N3O4H20C22 (1)
Stoich.:	ABC2D3E4F20G22 (1)
Weight, g/mol:	258.037147
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	9.66
IP(EA), eV:	-9.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CSCC1=CC(=CC(=C1)OCCCCOC2=C(C=CC=C2F)C3=NC(=NC=C3F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations