Geometry & MOs

Info

ID:

219112

PubChem CID:

85090574

Reduced:

NSO10C27H31 (1)

Stoich.:

ABC10D27E31 (1)

Weight, g/mol:

563.226114

ΔHf, kcal/mol:

-389.25

Dipole, Da:

7.4

IP(EA), eV:

 -8.99(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[2-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(COC(=O)C2=CC=CC=C2)O)O)(C(=O)OC)SC)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations