Geometry & MOs

Info

ID:

99648

PubChem CID:

50053482

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-273.96

Dipole, Da:

13.57

IP(EA), eV:

 -8.78(-0.44)

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-[4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C)NC(=O)C(C)C

DOS

IR

Vibrations