Geometry & MOs

Info

ID:

105965

PubChem CID:

50144505

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-209.15

Dipole, Da:

6.25

IP(EA), eV:

 -8.24(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC)C

DOS

IR

Vibrations