Geometry & MOs

Info

ID:

104339

PubChem CID:

50104074

Reduced:

F3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-287.35

Dipole, Da:

5.33

IP(EA), eV:

 -8.95(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations