Geometry & MOs

Info

ID:	135253
PubChem CID:	51841955
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	5.33
IP(EA), eV:	-8.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-methylphenyl)-2-oxoethyl]-2-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C2=C(C=CC3=CC=CC=C32)OC)C(=O)NC4CCCCC4)C(=O)C(=C)C

DOS

IR

Vibrations