Geometry & MOs

Info

ID:

91232

PubChem CID:

49974260

Reduced:

N5O5C29H37 (1)

Stoich.:

A5B5C29D37 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-185.69

Dipole, Da:

5.73

IP(EA), eV:

 -9.18(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-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)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations