Geometry & MOs

Info

ID:

99030

PubChem CID:

50047896

Reduced:

F2N5O6C36H41 (1)

Stoich.:

A2B5C6D36E41 (1)

Weight, g/mol:

667.27523

ΔHf, kcal/mol:

-288.54

Dipole, Da:

15.76

IP(EA), eV:

 -8.9(-0.57)

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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations