Geometry & MOs

Info

ID:	21350
PubChem CID:	587984
Reduced:	BrNOSC15H20 (1)
Stoich.:	ABCDE15F20 (1)
Weight, g/mol:	341.0449
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	2.62
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfanyl]-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CSCC2=CC(=CC=C2)Br

DOS

IR

Vibrations