Geometry & MOs

Info

ID:	261752
PubChem CID:	103249400
Reduced:	NSO2F3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	5.59
IP(EA), eV:	-9.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC2=CC=C(S2)C(=O)O)C(F)(F)F

DOS

IR

Vibrations