Geometry & MOs

Info

ID:	198783
PubChem CID:	79149867
Reduced:	BrClNS2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	287.049526
ΔH_f, kcal/mol:	48.36
Dipole, Da:	4.4
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC2=CC=C(S2)Br)Cl)N

DOS

IR

Vibrations