Geometry & MOs

Info

ID:

104953

PubChem CID:

50106035

Reduced:

ClF2O5N6C39H47 (1)

Stoich.:

AB2C5D6E39F47 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-299.12

Dipole, Da:

7.76

IP(EA), eV:

 -8.95(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations