Geometry & MOs

Info

ID:

302377

PubChem CID:

124361522

Reduced:

SN3O6C26H39 (1)

Stoich.:

AB3C6D26E39 (1)

Weight, g/mol:

491.212378

ΔHf, kcal/mol:

-281.12

Dipole, Da:

11.93

IP(EA), eV:

 -9.46(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)C(=O)N2CCC(CC2)C(=O)NCC3CCC(CC3)C(=O)O

DOS

IR

Vibrations