Geometry & MOs

Info

ID:

113356

PubChem CID:

50440971

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-265.98

Dipole, Da:

7.15

IP(EA), eV:

 -8.95(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations