Geometry & MOs

Info

ID:

108448

PubChem CID:

50245680

Reduced:

F2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-252.67

Dipole, Da:

7.91

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N5CCCCC5

DOS

IR

Vibrations