Geometry & MOs

Info

ID:

104510

PubChem CID:

50104451

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-253.78

Dipole, Da:

2.3

IP(EA), eV:

 -8.94(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations