Geometry & MOs

Info

ID:	314020
PubChem CID:	126619616
Reduced:	N2O5C28H44 (1)
Stoich.:	A2B5C28D44 (1)
Weight, g/mol:	584.09542
ΔH_f, kcal/mol:	-201.09
Dipole, Da:	3.16
IP(EA), eV:	-8.22(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl iodide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=C1)C(CCN)OC2=C(C=C(C=C2)OCCCCOC)C(CCN)O

DOS

IR

Vibrations