Geometry & MOs

Info

ID:

112822

PubChem CID:

50421568

Reduced:

FSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-149.11

Dipole, Da:

8.6

IP(EA), eV:

 -8.76(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-methyl-4-(propanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=NN=C(S3)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations