Geometry & MOs

Info

ID:

98851

PubChem CID:

50046648

Reduced:

F3O4N5C30H30 (1)

Stoich.:

A3B4C5D30E30 (1)

Weight, g/mol:

710.243117

ΔHf, kcal/mol:

-250.19

Dipole, Da:

8.18

IP(EA), eV:

 -8.96(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)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=CC(=CC=C4)F

DOS

IR

Vibrations