Geometry & MOs

Info

ID:

100998

PubChem CID:

50064254

Reduced:

ClFO5N6C40H50 (1)

Stoich.:

ABC5D6E40F50 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-257.18

Dipole, Da:

12.76

IP(EA), eV:

 -8.55(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations