Geometry & MOs

Info

ID:	135021
PubChem CID:	51799542
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	440.267508
ΔH_f, kcal/mol:	-147.63
Dipole, Da:	1.1
IP(EA), eV:	-8.96(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-tert-butyl-2-[[(2S)-2-methoxy-2-phenylacetyl]-[(5-methylfuran-2-yl)methyl]amino]hept-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=CO1)N(CC2=CC=C(O2)C)C(=O)CC(C)C

DOS

IR

Vibrations