Geometry & MOs

Info

ID:

115572

PubChem CID:

50527596

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-282.96

Dipole, Da:

7.44

IP(EA), eV:

 -9.12(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations