Geometry & MOs

Info

ID:

102163

PubChem CID:

50065444

Reduced:

FCl2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

613.165888

ΔHf, kcal/mol:

-180.12

Dipole, Da:

12.22

IP(EA), eV:

 -8.91(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations