Geometry & MOs

Info

ID:

104802

PubChem CID:

50105579

Reduced:

F3O5N6C37H43 (1)

Stoich.:

A3B5C6D37E43 (1)

Weight, g/mol:

752.326453

ΔHf, kcal/mol:

-322.27

Dipole, Da:

14.99

IP(EA), eV:

 -8.95(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(diethylcarbamoyl)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)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)F

DOS

IR

Vibrations