Geometry & MOs

Info

ID:	159456
PubChem CID:	57280235
Reduced:	ClNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	289.120861
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	9.6
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] 1,3-thiazolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3OC(C)C

DOS

IR

Vibrations