Geometry & MOs

Info

ID:

434759

PubChem CID:

135175650

Reduced:

BrSF2N3O4C32H36 (1)

Stoich.:

ABC2D3E4F32G36 (1)

Weight, g/mol:

741.325928

ΔHf, kcal/mol:

-213.59

Dipole, Da:

5.25

IP(EA), eV:

 -9.12(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoro-3-[4-(3-methylphenoxy)phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations