Geometry & MOs

Info

ID:

117283

PubChem CID:

50597300

Reduced:

ClFO5N6C42H44 (1)

Stoich.:

ABC5D6E42F44 (1)

Weight, g/mol:

778.324561

ΔHf, kcal/mol:

-200.76

Dipole, Da:

4.57

IP(EA), eV:

 -8.49(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(3-methoxybenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)NC(=O)C6=CC(=CC=C6)F

DOS

IR

Vibrations