Geometry & MOs

Info

ID:

105680

PubChem CID:

50139204

Reduced:

SF2O4N7C29H33 (1)

Stoich.:

AB2C4D7E29F33 (1)

Weight, g/mol:

619.260626

ΔHf, kcal/mol:

-191.75

Dipole, Da:

15.39

IP(EA), eV:

 -8.88(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations