Geometry & MOs

Info

ID:

106050

PubChem CID:

50147856

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

613.32642

ΔHf, kcal/mol:

-179.77

Dipole, Da:

3.33

IP(EA), eV:

 -8.94(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methoxybenzoyl)amino]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)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations