Geometry & MOs

Info

ID:

316106

PubChem CID:

126630084

Reduced:

N5O6C30H39 (1)

Stoich.:

A5B6C30D39 (1)

Weight, g/mol:

328.17467

ΔHf, kcal/mol:

-187.91

Dipole, Da:

6.72

IP(EA), eV:

 -9.63(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-formamido-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=NC4=C(C=CC(=C4)/C=C/[C@@H](C(=O)NC(C(=O)N1)C(C)C)[C@H](C)O)C=C3)C

DOS

IR

Vibrations