Geometry & MOs

Info

ID:

104597

PubChem CID:

50104683

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-175.05

Dipole, Da:

8.88

IP(EA), eV:

 -8.89(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-3-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations