Geometry & MOs

Info

ID:	174387
PubChem CID:	75758813
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-180.2
Dipole, Da:	7.0
IP(EA), eV:	-9.26(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(tert-butylamino)-1-oxohept-3-en-2-yl]-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CC=C1O)N(CC2=CC=C(O2)C)C(=O)CO

DOS

IR

Vibrations