Geometry & MOs

Info

ID:

92076

PubChem CID:

49982559

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-231.62

Dipole, Da:

9.9

IP(EA), eV:

 -8.99(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C)Cl

DOS

IR

Vibrations