Geometry & MOs

Info

ID:

106087

PubChem CID:

50148680

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-220.65

Dipole, Da:

4.63

IP(EA), eV:

 -8.89(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations