Geometry & MOs

Info

ID:	213456
PubChem CID:	81063797
Reduced:	ClN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	4.32
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC(C)CC(=O)O)Cl

DOS

IR

Vibrations