Geometry & MOs

Info

ID:	214042
PubChem CID:	81065896
Reduced:	NSO6C13H19 (1)
Stoich.:	ABC6D13E19 (1)
Weight, g/mol:	174.100442
ΔH_f, kcal/mol:	-240.48
Dipole, Da:	6.18
IP(EA), eV:	-9.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(carbamoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations