Geometry & MOs

Info

ID:

327781

PubChem CID:

126691050

Reduced:

SN2H40C53 (1)

Stoich.:

AB2C40D53 (1)

Weight, g/mol:

571.358114

ΔHf, kcal/mol:

242.33

Dipole, Da:

1.48

IP(EA), eV:

 -7.88(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C=C)/C(=C\C=C)/C2=CC(=CC=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9

DOS

IR

Vibrations