Geometry & MOs

Info

ID:

306982

PubChem CID:

125264558

Reduced:

N5O10C55H77 (1)

Stoich.:

A5B10C55D77 (1)

Weight, g/mol:

967.567044

ΔHf, kcal/mol:

-437.43

Dipole, Da:

3.99

IP(EA), eV:

 -8.86(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S,3R)-3-[(2R)-1-[(3S,4R,5S)-4-[[(2S)-2-[[(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@@H]([C@H](C)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)OC)OC)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations