Geometry & MOs

Info

ID:

316119

PubChem CID:

126630114

Reduced:

ClSO3N5C37H38 (1)

Stoich.:

ABC3D5E37F38 (1)

Weight, g/mol:

394.258006

ΔHf, kcal/mol:

-30.76

Dipole, Da:

8.41

IP(EA), eV:

 -8.87(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2R)-3-ethenylpent-3-en-2-yl] 1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC=NC4=C3C=C(C=C4)C(C5=CC=C(C=C5)C)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations