Geometry & MOs

Info

ID:

97640

PubChem CID:

50033279

Reduced:

ClFO4N5C36H43 (1)

Stoich.:

ABC4D5E36F43 (1)

Weight, g/mol:

776.369761

ΔHf, kcal/mol:

-206.6

Dipole, Da:

10.73

IP(EA), eV:

 -8.84(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations