Geometry & MOs

Info

ID:	213265
PubChem CID:	81063287
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	311.038292
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	3.27
IP(EA), eV:	-8.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations