Geometry & MOs

Info

ID:

223889

PubChem CID:

85335707

Reduced:

S2O5N6C31H46 (1)

Stoich.:

A2B5C6D31E46 (1)

Weight, g/mol:

646.199476

ΔHf, kcal/mol:

-121.69

Dipole, Da:

12.16

IP(EA), eV:

 -8.7(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCN(C)C)CSC4=CC=CC=C4)[N+](=O)[O-])C

DOS

IR

Vibrations