Geometry & MOs

Info

ID:

434800

PubChem CID:

135175726

Reduced:

ClSF2N3O3C33H38 (1)

Stoich.:

ABC2D3E3F33G38 (1)

Weight, g/mol:

745.276391

ΔHf, kcal/mol:

-174.29

Dipole, Da:

2.8

IP(EA), eV:

 -8.81(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[4-(4-chlorophenyl)phenyl]-2-[[4-(2-cyclopentyloxyethyl)phenyl]sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)OCCC2=CC=C(C=C2)S(=O)N[C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations