Geometry & MOs

Info

ID:	189255
PubChem CID:	77834272
Reduced:	N5O6C40H55 (1)
Stoich.:	A5B6C40D55 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-275.25
Dipole, Da:	6.26
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(2,3-dihydro-1-benzothiophene-2-carbonyl)anilino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1CCCCC1)C(CC(=O)NCC(C)C)O)NC(=O)C(C(=C2C3=CC=CC=C3C(=O)N2)C4=CC=CC=C4)NC(=O)C

DOS

IR

Vibrations