Geometry & MOs

Info

ID:	277189
PubChem CID:	103827216
Reduced:	BrClNSO2C12H15 (1)
Stoich.:	ABCDE2F12G15 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	4.29
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Br)C(=O)NCCSCCCO

DOS

IR

Vibrations