Geometry & MOs

Info

ID:	277148
PubChem CID:	103827028
Reduced:	BrClNOSC12H13 (1)
Stoich.:	ABCDEF12G13 (1)
Weight, g/mol:	300.9869
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	2.97
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-cyclobutyl-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations