Geometry & MOs

Info

ID:

43356

PubChem CID:

10321170

Reduced:

BrS2N4H15C19 (1)

Stoich.:

AB2C4D15E19 (1)

Weight, g/mol:

443.176461

ΔHf, kcal/mol:

92.46

Dipole, Da:

1.37

IP(EA), eV:

 -8.63(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NCCCN4C(=S)N3)C5=CC=C(C=C5)Br

DOS

IR

Vibrations