Geometry & MOs

Info

ID:

117805

PubChem CID:

50616435

Reduced:

ClFO4N5C27H33 (1)

Stoich.:

ABC4D5E27F33 (1)

Weight, g/mol:

604.196774

ΔHf, kcal/mol:

-207.94

Dipole, Da:

6.2

IP(EA), eV:

 -8.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-3-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)F

DOS

IR

Vibrations