Geometry & MOs

Info

ID:

104842

PubChem CID:

50105761

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-281.29

Dipole, Da:

12.14

IP(EA), eV:

 -8.68(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=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)Cl

DOS

IR

Vibrations