Geometry & MOs

Info

ID:	134738
PubChem CID:	51748907
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-125.8
Dipole, Da:	7.01
IP(EA), eV:	-9.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(cyclohexylamino)-1-oxohept-3-en-2-yl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(CC2=CC=CO2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations