Geometry & MOs

Info

ID:

375539

PubChem CID:

134213859

Reduced:

SO19N24C93H132 (1)

Stoich.:

AB19C24D93E132 (1)

Weight, g/mol:

259.16444

ΔHf, kcal/mol:

-733.93

Dipole, Da:

15.28

IP(EA), eV:

 -8.05(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-amino-1-(methylamino)-1-oxopropan-2-yl]-1-(aminooxymethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCCC3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CNC5=CC=CC=C54)CO)CC6=CNC7=CC=CC=C76)CC(C)C)CC8=CN=CN8)CC(=O)N)C)C)CCC9=CC=CC=C9OC)C(=O)NCC(=O)N)CCCNC(=N)N

DOS

IR

Vibrations