Geometry & MOs

Info

ID:

214747

PubChem CID:

85083580

Reduced:

BrNO8C29H30 (1)

Stoich.:

ABC8D29E30 (1)

Weight, g/mol:

600.311892

ΔHf, kcal/mol:

-257.78

Dipole, Da:

5.05

IP(EA), eV:

 -9.07(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[2-[[1-[[2-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(=CC1=CC=CC=C1)C(=CC2=C(N(C3=C2C=C(C=C3)Br)C(=O)OCC)OC(=O)OCC)OC(=O)OCC

DOS

IR

Vibrations