Geometry & MOs

Info

ID:

302376

PubChem CID:

124361506

Reduced:

SN4O5C27H42 (1)

Stoich.:

AB4C5D27E42 (1)

Weight, g/mol:

521.255957

ΔHf, kcal/mol:

-257.76

Dipole, Da:

5.24

IP(EA), eV:

 -8.54(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[1-[(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations