Geometry & MOs

Info

ID:	170951
PubChem CID:	75305852
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	227.049526
ΔH_f, kcal/mol:	-140.89
Dipole, Da:	4.41
IP(EA), eV:	-9.11(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(carbamothioylamino)pentanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC=C(C=C2)C34CC3CN(C4)C(=O)C

DOS

IR

Vibrations