Geometry & MOs

Info

ID:

118945

PubChem CID:

50664447

Reduced:

BrClFO4N5C29H34 (1)

Stoich.:

ABCD4E5F29G34 (1)

Weight, g/mol:

589.226739

ΔHf, kcal/mol:

-198.52

Dipole, Da:

3.01

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations