Geometry & MOs

Info

ID:

116333

PubChem CID:

50556599

Reduced:

ClSO4N7C30H42 (1)

Stoich.:

ABC4D7E30F42 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-156.03

Dipole, Da:

9.49

IP(EA), eV:

 -8.82(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C(C)C)Cl

DOS

IR

Vibrations