Geometry & MOs

Info

ID:	134110
PubChem CID:	51644918
Reduced:	NSO6C23H31 (1)
Stoich.:	ABC6D23E31 (1)
Weight, g/mol:	449.187209
ΔH_f, kcal/mol:	-240.71
Dipole, Da:	9.3
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3CCCCC3

DOS

IR

Vibrations