Geometry & MOs

Info

ID:

326585

PubChem CID:

126687829

Reduced:

PN2O19C81H151 (1)

Stoich.:

AB2C19D81E151 (1)

Weight, g/mol:

376.199822

ΔHf, kcal/mol:

-1225.22

Dipole, Da:

8.98

IP(EA), eV:

 -10.24(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl (2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@H](CC(=O)NC1[C@@H](OC([C@H](C1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OP(=O)(O)O)CO)OC[C@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

DOS

IR

Vibrations