Geometry & MOs

Info

ID:	135219
PubChem CID:	51835606
Reduced:	N2O4C29H34 (1)
Stoich.:	A2B4C29D34 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	4.94
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(butylamino)-1-oxopent-3-en-2-yl]-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C(=O)NC2CCCCC2)N(CC3=CC=C(O3)C)C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations