Geometry & MOs

Info

ID:

298108

PubChem CID:

117647542

Reduced:

OH15C21 (2)

Stoich.:

AB15C21 (2)

Weight, g/mol:

451.341007

ΔHf, kcal/mol:

153.63

Dipole, Da:

2.36

IP(EA), eV:

 -8.61(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CC1(C2=C3C(=CC(=C2)C4=CC5=C(C=C4)C(=C)/C=C\C=C/CO5)C=CC6=CC(=CC1=C63)C7=CC8=C(C=C7)C9=CC=CC=C9O8)C

DOS

IR

Vibrations