Geometry & MOs

Info

ID:	135030
PubChem CID:	51800573
Reduced:	NO2C15H22 (2)
Stoich.:	AB2C15D22 (2)
Weight, g/mol:	526.213758
ΔH_f, kcal/mol:	-175.81
Dipole, Da:	4.86
IP(EA), eV:	-9.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1R)-1-(furan-2-yl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]oct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(CC1=CC=C(O1)C)[C@H](C2=CC(=CC=C2)O)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations