Geometry & MOs

Info

ID:

114395

PubChem CID:

50481422

Reduced:

FN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-303.17

Dipole, Da:

9.91

IP(EA), eV:

 -8.15(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-methoxy-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations