Geometry & MOs

Info

ID:

114278

PubChem CID:

50476921

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

706.268189

ΔHf, kcal/mol:

-235.95

Dipole, Da:

3.11

IP(EA), eV:

 -8.91(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6CCCC6)Cl)C)F

DOS

IR

Vibrations