Geometry & MOs

Info

ID:

186778

PubChem CID:

77480848

Reduced:

SO7N10C38H48 (1)

Stoich.:

AB7C10D38E48 (1)

Weight, g/mol:

696.3166

ΔHf, kcal/mol:

-219.62

Dipole, Da:

5.8

IP(EA), eV:

 -8.28(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[6-[5-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-4,5-dihydro-1H-imidazol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2NCC(N2)C3=CC=C(C=C3)C4CN5C=C(N=C5S4)NC(=O)C6CNCCN6C(=O)C(C7=CC=CC=C7)NC(=O)O)NC(=O)O

DOS

IR

Vibrations