Geometry & MOs

Info

ID:

113313

PubChem CID:

50439428

Reduced:

SF2O4N7C28H31 (1)

Stoich.:

AB2C4D7E28F31 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-181.8

Dipole, Da:

8.84

IP(EA), eV:

 -9.06(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=NN=C(S3)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations