Geometry & MOs

Info

ID:

310246

PubChem CID:

126577250

Reduced:

BrS2N3O3C23H28 (1)

Stoich.:

AB2C3D3E23F28 (1)

Weight, g/mol:

561.193141

ΔHf, kcal/mol:

-104.97

Dipole, Da:

1.51

IP(EA), eV:

 -9.1(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[(6,6-difluoro-2-pyrrol-1-yl-5,7-dihydro-4H-1-benzothiophen-3-yl)methylcarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)NCC4=C(SC5=C4CCNC5)Br

DOS

IR

Vibrations