Geometry & MOs

Info

ID:

107160

PubChem CID:

50192511

Reduced:

ClN6O7C35H45 (1)

Stoich.:

AB6C7D35E45 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-280.52

Dipole, Da:

8.12

IP(EA), eV:

 -9.03(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations