Geometry & MOs

Info

ID:

101460

PubChem CID:

50064729

Reduced:

SF2O4N7C32H37 (1)

Stoich.:

AB2C4D7E32F37 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-196.68

Dipole, Da:

15.14

IP(EA), eV:

 -8.91(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C(C)C

DOS

IR

Vibrations