Geometry & MOs

Info

ID:

316266

PubChem CID:

126630518

Reduced:

N11H105C170 (1)

Stoich.:

A11B105C170 (1)

Weight, g/mol:

430.094138

ΔHf, kcal/mol:

798.63

Dipole, Da:

3.56

IP(EA), eV:

 -7.99(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=C(C=C7)C8=NC9=C(C=C(C=C9)C1=CC(=CC=C1)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C(=N8)C1=CC(=CC=C1)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C=C(C=C6)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations