Geometry & MOs

Info

ID:

105052

PubChem CID:

50106254

Reduced:

FN3O3C19H23 (2)

Stoich.:

AB3C3D19E23 (2)

Weight, g/mol:

758.303968

ΔHf, kcal/mol:

-318.27

Dipole, Da:

13.94

IP(EA), eV:

 -8.36(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)OC

DOS

IR

Vibrations