Geometry & MOs

Info

ID:	203321
PubChem CID:	79812695
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-150.13
Dipole, Da:	4.2
IP(EA), eV:	-9.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

COC(=O)CC1CN(CCO1)C(=O)C2=CC=C(N2)[N+](=O)[O-]

DOS

IR

Vibrations