Geometry & MOs

Info

ID:	154895
PubChem CID:	56314443
Reduced:	BrNF2O2C18H18 (1)
Stoich.:	ABC2D2E18F18 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-137.36
Dipole, Da:	1.44
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-phenylbutylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)COC1=C(C=C(C=C1)Br)F)C2=CC=CC=C2F

DOS

IR

Vibrations