Geometry & MOs

Info

ID:

114101

PubChem CID:

50471878

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-252.16

Dipole, Da:

4.97

IP(EA), eV:

 -9.03(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations