Geometry & MOs

Info

ID:

96726

PubChem CID:

50023997

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-257.74

Dipole, Da:

2.76

IP(EA), eV:

 -8.26(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)OC

DOS

IR

Vibrations