Geometry & MOs

Info

ID:

306981

PubChem CID:

125264554

Reduced:

BrSO2N4H9C11 (1)

Stoich.:

ABC2D4E9F11 (1)

Weight, g/mol:

967.567044

ΔHf, kcal/mol:

15.63

Dipole, Da:

4.6

IP(EA), eV:

 -9.01(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S,3R)-3-[(2R)-1-[(3S,4R,5S)-4-[[(2R)-2-[[(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C(=O)N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations