Geometry & MOs

Info

ID:

185043

PubChem CID:

77245126

Reduced:

SO4N6C30H34 (1)

Stoich.:

AB4C6D30E34 (1)

Weight, g/mol:

816.432282

ΔHf, kcal/mol:

-27.31

Dipole, Da:

13.1

IP(EA), eV:

 -8.75(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CN(C)CCN1CCN(CC1)C(=O)C2=CC3=NC(=O)C4=C(C=C(C=C4)C5=CC=CC=C5N(C)S(=O)(=O)C)N=C3C=C2

DOS

IR

Vibrations