Geometry & MOs

Info

ID:	136025
PubChem CID:	51968052
Reduced:	ON2S2C21H28 (1)
Stoich.:	AB2C2D21E28 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-21.1
Dipole, Da:	2.6
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(benzylamino)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

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C1CCC(C1)[C@@H](C2=CC=CS2)NC(=O)N[C@@H](C3CCCC3)C4=CC=CS4

DOS

IR

Vibrations