Geometry & MOs

Info

ID:

434512

PubChem CID:

135175107

Reduced:

SN4O5C26H36 (1)

Stoich.:

AB4C5D26E36 (1)

Weight, g/mol:

699.17893

ΔHf, kcal/mol:

-198.67

Dipole, Da:

4.81

IP(EA), eV:

 -8.65(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[(4-butoxyphenyl)sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CSC)NC(=O)CCC(C)C)O

DOS

IR

Vibrations