Geometry & MOs

Info

ID:	238013
PubChem CID:	92728799
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	455.154863
ΔH_f, kcal/mol:	-169.79
Dipole, Da:	6.16
IP(EA), eV:	-8.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CCCOC1=C(SC2=C1C=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)CCC4=CC=C(C=C4)C)C(=O)OC

DOS

IR

Vibrations