Geometry & MOs

Info

ID:	70178
PubChem CID:	47208528
Reduced:	ClFO3N4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	337.0136
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	3.32
IP(EA), eV:	-9.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C1=C(C=C(C=C1)F)Cl)NC(=O)N

DOS

IR

Vibrations