Geometry & MOs

Info

ID:

104654

PubChem CID:

50104829

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-242.23

Dipole, Da:

10.93

IP(EA), eV:

 -8.27(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]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=C(C=CC(=C3)C(=O)N4CCCCC4)OC

DOS

IR

Vibrations