Geometry & MOs

Info

ID:

329201

PubChem CID:

126731928

Reduced:

N11O12C59H77 (1)

Stoich.:

A11B12C59D77 (1)

Weight, g/mol:

284.184841

ΔHf, kcal/mol:

-471.13

Dipole, Da:

15.25

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-(hydrazinecarbonyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@H]3C4=CC(=C(C=C4)OC(=O)OCC(C)C)C5=C(C=CC(=C5)C[C@H](NC(=O)[C@@H](NC3=O)N)C(=O)N[C@H](C(=O)N6CCC[C@H]6C(=O)N)N)O

DOS

IR

Vibrations