Geometry & MOs

Info

ID:

98691

PubChem CID:

50045755

Reduced:

Cl2F2O4N5H29C30 (1)

Stoich.:

A2B2C4D5E29F30 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-216.1

Dipole, Da:

8.13

IP(EA), eV:

 -8.91(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations