Geometry & MOs

Info

ID:

97972

PubChem CID:

50037443

Reduced:

ClF2O5N6C39H47 (1)

Stoich.:

AB2C5D6E39F47 (1)

Weight, g/mol:

774.39164

ΔHf, kcal/mol:

-294.29

Dipole, Da:

14.86

IP(EA), eV:

 -9.01(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C)Cl

DOS

IR

Vibrations