Geometry & MOs

Info

ID:

224489

PubChem CID:

85343979

Reduced:

SiO7C45H56 (1)

Stoich.:

AB7C45D56 (1)

Weight, g/mol:

737.399978

ΔHf, kcal/mol:

-219.75

Dipole, Da:

1.81

IP(EA), eV:

 -8.86(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[4-methyl-2-[2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]pentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C#CC(C1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations