Geometry & MOs

Info

ID:

99355

PubChem CID:

50050168

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

706.329039

ΔHf, kcal/mol:

-279.02

Dipole, Da:

12.16

IP(EA), eV:

 -8.75(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methoxy-4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations