Geometry & MOs

Info

ID:	204587
PubChem CID:	79986757
Reduced:	BrNOSC16H22 (1)
Stoich.:	ABCDE16F22 (1)
Weight, g/mol:	370.97463
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	5.43
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N2CC3(CC2CC(C3)(C)C)C)Br

DOS

IR

Vibrations