Geometry & MOs

Info

ID:

90110

PubChem CID:

49966542

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

704.345296

ΔHf, kcal/mol:

-226.92

Dipole, Da:

17.26

IP(EA), eV:

 -8.39(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC(C)C

DOS

IR

Vibrations