Geometry & MOs

Info

ID:

107501

PubChem CID:

50205764

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-207.7

Dipole, Da:

4.53

IP(EA), eV:

 -8.83(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-2-oxoethyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)Cl

DOS

IR

Vibrations