Geometry & MOs

Info

ID:

98380

PubChem CID:

50043346

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-173.45

Dipole, Da:

11.21

IP(EA), eV:

 -8.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations