Geometry & MOs

Info

ID:

99074

PubChem CID:

50048054

Reduced:

F2N5O5C35H41 (1)

Stoich.:

A2B5C5D35E41 (1)

Weight, g/mol:

635.271939

ΔHf, kcal/mol:

-269.96

Dipole, Da:

8.22

IP(EA), eV:

 -8.19(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)OC

DOS

IR

Vibrations