Geometry & MOs

Info

ID:

97769

PubChem CID:

50034651

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-244.14

Dipole, Da:

10.82

IP(EA), eV:

 -8.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]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)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NC(C)C)Cl

DOS

IR

Vibrations