Geometry & MOs

Info

ID:	29302
PubChem CID:	832866
Reduced:	BrN2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	19.12
Dipole, Da:	3.11
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[[(1R)-1-phenylethyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)C(=CNC3=CC=C(C=C3)Br)C=O

DOS

IR

Vibrations