Geometry & MOs

Info

ID:

102033

PubChem CID:

50065311

Reduced:

FN5O5C35H42 (1)

Stoich.:

AB5C5D35E42 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-226.85

Dipole, Da:

11.31

IP(EA), eV:

 -8.27(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-1-[1-[5-[(4-fluorophenyl)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)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C)OC

DOS

IR

Vibrations