Geometry & MOs

Info

ID:

146856

PubChem CID:

53761827

Reduced:

OC37H60 (1)

Stoich.:

AB37C60 (1)

Weight, g/mol:

821.407189

ΔHf, kcal/mol:

-111.13

Dipole, Da:

1.95

IP(EA), eV:

 -8.39(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC[C@@H](C)CC

DOS

IR

Vibrations