Geometry & MOs

Info

ID:

109624

PubChem CID:

50292109

Reduced:

FO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-164.67

Dipole, Da:

13.26

IP(EA), eV:

 -9.0(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations