Geometry & MOs

Info

ID:

315731

PubChem CID:

126628630

Reduced:

O4N5C30H45 (1)

Stoich.:

A4B5C30D45 (1)

Weight, g/mol:

400.232185

ΔHf, kcal/mol:

-182.1

Dipole, Da:

7.64

IP(EA), eV:

 -8.67(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC(=C2)/C=C/CC(CCC(=O)NC(C(=O)NC(C(=O)N3CCC[C@H](N3)C(=O)N1)C)C(C)C)(C)C

DOS

IR

Vibrations