Geometry & MOs

Info

ID:	176904
PubChem CID:	76108763
Reduced:	N3O3H7C14 (1)
Stoich.:	A3B3C7D14 (1)
Weight, g/mol:	453.131819
ΔH_f, kcal/mol:	17.22
Dipole, Da:	2.18
IP(EA), eV:	-9.53(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[2-amino-3-(1,3-thiazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]-(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=C(C=CC(=C2)C#N)C3=NC(=O)NC3=O

DOS

IR

Vibrations