Geometry & MOs

Info

ID:

44997

PubChem CID:

10507076

Reduced:

N3S3O7C23H33 (1)

Stoich.:

A3B3C7D23E33 (1)

Weight, g/mol:

559.307993

ΔHf, kcal/mol:

-299.28

Dipole, Da:

4.17

IP(EA), eV:

 -8.78(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)SC(=C3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C

DOS

IR

Vibrations