Geometry & MOs

Info

ID:	160318
PubChem CID:	57309665
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	397.153223
ΔH_f, kcal/mol:	37.99
Dipole, Da:	5.15
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxopiperazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

DOS

IR

Vibrations