Geometry & MOs

Info

ID:

186994

PubChem CID:

77513095

Reduced:

SN4O5C20H38 (1)

Stoich.:

AB4C5D20E38 (1)

Weight, g/mol:

825.453745

ΔHf, kcal/mol:

-246.62

Dipole, Da:

7.86

IP(EA), eV:

 -9.07(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-4-[[2-[[2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-methylamino]-1-N-naphthalen-2-ylpyrrolidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1CC2CCC1(C2(C)C)C)N(C(CCCCN)C(=O)O)S(=O)(=O)N

DOS

IR

Vibrations