Geometry & MOs

Info

ID:

223877

PubChem CID:

85335691

Reduced:

N4O5C36H62 (1)

Stoich.:

A4B5C36D62 (1)

Weight, g/mol:

630.168176

ΔHf, kcal/mol:

-298.08

Dipole, Da:

10.58

IP(EA), eV:

 -9.1(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)CC(=O)N(C)CCN(C)C)O)O

DOS

IR

Vibrations