Geometry & MOs

Info

ID:

434569

PubChem CID:

135175242

Reduced:

BrSF2N3O4C30H34 (1)

Stoich.:

ABC2D3E4F30G34 (1)

Weight, g/mol:

749.19458

ΔHf, kcal/mol:

-211.67

Dipole, Da:

6.18

IP(EA), eV:

 -9.14(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-3,3-difluoro-2-[methyl-(6-propan-2-yloxynaphthalen-2-yl)sulfonylamino]propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N(C)[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations