Geometry & MOs

Info

ID:	16464
PubChem CID:	470139
Reduced:	BrOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	365.01975
ΔH_f, kcal/mol:	33.32
Dipole, Da:	2.57
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN=C(NC2=NC=C(C=C2)Br)S

DOS

IR

Vibrations