Geometry & MOs

Info

ID:

112986

PubChem CID:

50428423

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-309.52

Dipole, Da:

3.89

IP(EA), eV:

 -8.8(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)OC)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations