Geometry & MOs

Info

ID:	344388
PubChem CID:	127267564
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	334.078742
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	10.31
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)NC2CC23CCN(CC3)C=O

DOS

IR

Vibrations