Geometry & MOs

Info

ID:	149693
PubChem CID:	53789367
Reduced:	NO2C21H42 (2)
Stoich.:	AB2C21D42 (2)
Weight, g/mol:	474.157306
ΔH_f, kcal/mol:	-308.81
Dipole, Da:	5.38
IP(EA), eV:	-9.0(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-oxo-3-[(2-phenylacetyl)amino]-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)sulfanylazetidin-1-yl]but-3-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(COCCCCCCCCC=CCCCCCCCC)COC(=O)NCCN(C)C

DOS

IR

Vibrations