Geometry & MOs

Info

ID:

119764

PubChem CID:

50700391

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-229.9

Dipole, Da:

10.15

IP(EA), eV:

 -8.59(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations