Geometry & MOs

Info

ID:

219176

PubChem CID:

85091246

Reduced:

O15C32H42 (1)

Stoich.:

A15B32C42 (1)

Weight, g/mol:

667.426862

ΔHf, kcal/mol:

-592.88

Dipole, Da:

7.72

IP(EA), eV:

 -8.49(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)COC6C(C(C(O6)CO)O)O)O)O)O)OC)OC

DOS

IR

Vibrations