Geometry & MOs

Info

ID:

114602

PubChem CID:

50489600

Reduced:

ClFO5N6C33H36 (1)

Stoich.:

ABC5D6E33F36 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-225.3

Dipole, Da:

7.49

IP(EA), eV:

 -8.89(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations