Geometry & MOs

Info

ID:	16463
PubChem CID:	470138
Reduced:	BrClSN3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	368.97021
ΔH_f, kcal/mol:	62.26
Dipole, Da:	3.14
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-N'-[2-(3-chlorophenyl)ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations