Geometry & MOs

Info

ID:

185007

PubChem CID:

77239647

Reduced:

FSN4O4C27H29 (1)

Stoich.:

ABC4D4E27F29 (1)

Weight, g/mol:

535.170096

ΔHf, kcal/mol:

-123.89

Dipole, Da:

5.9

IP(EA), eV:

 -9.09(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]phenyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C2=C(CC3=C1C(CC3)CN(CCO)S(=O)(=O)C4=CC=CC=C4C(=O)N)N(N=C2)C5=CC=C(C=C5)F

DOS

IR

Vibrations