Geometry & MOs

Info

ID:

107116

PubChem CID:

50190765

Reduced:

SF2O4N7C28H31 (1)

Stoich.:

AB2C4D7E28F31 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-190.85

Dipole, Da:

13.96

IP(EA), eV:

 -8.78(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methyl-4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations