Geometry & MOs

Info

ID:

110362

PubChem CID:

50322096

Reduced:

ClFO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-218.76

Dipole, Da:

5.98

IP(EA), eV:

 -8.9(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)Cl)C(=O)NC(C)C

DOS

IR

Vibrations