Geometry & MOs

Info

ID:

101458

PubChem CID:

50064727

Reduced:

SF2O4N7C30H33 (1)

Stoich.:

AB2C4D7E30F33 (1)

Weight, g/mol:

663.28684

ΔHf, kcal/mol:

-186.92

Dipole, Da:

16.99

IP(EA), eV:

 -8.91(-0.77)

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-(2,4-dimethoxyphenyl)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

DOS

IR

Vibrations