Geometry & MOs

Info

ID:

112317

PubChem CID:

50401929

Reduced:

F2N6O6C41H48 (1)

Stoich.:

A2B6C6D41E48 (1)

Weight, g/mol:

772.37599

ΔHf, kcal/mol:

-305.27

Dipole, Da:

7.25

IP(EA), eV:

 -8.84(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations