Geometry & MOs

Info

ID:	134703
PubChem CID:	51741329
Reduced:	N3O6C25H27 (1)
Stoich.:	A3B6C25D27 (1)
Weight, g/mol:	416.303893
ΔH_f, kcal/mol:	-102.23
Dipole, Da:	9.39
IP(EA), eV:	-9.51(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(E,2R)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pent-3-en-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N(CC2=CC=CO2)C(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations