Geometry & MOs

Info

ID:	395416
PubChem CID:	135025402
Reduced:	OC24H42 (1)
Stoich.:	AB24C42 (1)
Weight, g/mol:	508.271942
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	2.27
IP(EA), eV:	-9.18(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCCCCCCC2=C(CCCCCCC1)C([C@H]3[C@@H]2CCCC3)O

DOS

IR

Vibrations