Geometry & MOs

Info

ID:

116253

PubChem CID:

50553099

Reduced:

BrClFO4N5C30H36 (1)

Stoich.:

ABCD4E5F30G36 (1)

Weight, g/mol:

772.351525

ΔHf, kcal/mol:

-203.36

Dipole, Da:

11.02

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations