Geometry & MOs

Info

ID:

425988

PubChem CID:

135134316

Reduced:

N4O5C38H44 (1)

Stoich.:

A4B5C38D44 (1)

Weight, g/mol:

822.416357

ΔHf, kcal/mol:

-132.36

Dipole, Da:

7.12

IP(EA), eV:

 -8.37(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-2-[[2-[[1-[(2-methylpropan-2-yl)oxy]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C(=NC6=CC=CC=C6)/C=C\N

DOS

IR

Vibrations