Geometry & MOs

Info

ID:

92452

PubChem CID:

49986397

Reduced:

SO4N7C30H41 (1)

Stoich.:

AB4C7D30E41 (1)

Weight, g/mol:

617.35772

ΔHf, kcal/mol:

-144.44

Dipole, Da:

11.77

IP(EA), eV:

 -8.86(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C

DOS

IR

Vibrations