Geometry & MOs

Info

ID:

103725

PubChem CID:

50072459

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-214.62

Dipole, Da:

10.6

IP(EA), eV:

 -8.44(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations