Geometry & MOs

Info

ID:

112966

PubChem CID:

50427729

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

744.363533

ΔHf, kcal/mol:

-183.64

Dipole, Da:

6.24

IP(EA), eV:

 -8.96(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations