Geometry & MOs

Info

ID:	16282
PubChem CID:	463435
Reduced:	BrOSF2N3C16H16 (1)
Stoich.:	ABCD2E3F16G16 (1)
Weight, g/mol:	415.01655
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-N'-[2-(3-ethoxy-2,6-difluorophenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)F)CCN=C(NC2=NC=C(C=C2)Br)S)F

DOS

IR

Vibrations