Geometry & MOs

Info

ID:	268491
PubChem CID:	103599611
Reduced:	N5O5H21C23 (1)
Stoich.:	A5B5C21D23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	4.59
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-oxo-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations