Geometry & MOs

Info

ID:	233543
PubChem CID:	91145397
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	423.309707
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	0.46
IP(EA), eV:	-8.11(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2-methylhex-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC(C=C2)(C)C

DOS

IR

Vibrations