Geometry & MOs

Info

ID:	32082
PubChem CID:	4265970
Reduced:	BrOSN2C19H19 (1)
Stoich.:	ABCD2E19F19 (1)
Weight, g/mol:	461.07726
ΔH_f, kcal/mol:	4.89
Dipole, Da:	4.53
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methoxy-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations