Geometry & MOs

Info

ID:

100102

PubChem CID:

50058223

Reduced:

BrFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-230.18

Dipole, Da:

9.93

IP(EA), eV:

 -8.7(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)Br

DOS

IR

Vibrations