Geometry & MOs

Info

ID:

425484

PubChem CID:

135126503

Reduced:

SN7O7C50H63 (1)

Stoich.:

AB7C7D50E63 (1)

Weight, g/mol:

947.497919

ΔHf, kcal/mol:

-202.63

Dipole, Da:

7.86

IP(EA), eV:

 -8.56(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[1-[[1-[3-cyclohexyl-2-[5-[(4-hydroxyphenyl)methyl]-2,3-dioxo-4-(2-phenylethyl)piperazin-1-yl]propyl]pyrrolidin-2-yl]methyl]-5,6-dioxopiperazin-2-yl]butyl]-5-(dimethylamino)naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

CC([C@@H](C1CCCCC1)N2CCC[C@H]2CN3[C@H](CNC(=O)C3=O)CC4=CC=CC=C4)N5C[C@@H](N(C(=O)C5=O)CCNS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)CC8=CC=C(C=C8)O

DOS

IR

Vibrations