Geometry & MOs

Info

ID:

104844

PubChem CID:

50105763

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-286.1

Dipole, Da:

15.3

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)Cl

DOS

IR

Vibrations