Geometry & MOs

Info

ID:

120396

PubChem CID:

50725516

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

704.308911

ΔHf, kcal/mol:

-235.1

Dipole, Da:

10.15

IP(EA), eV:

 -8.94(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[3-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations