Geometry & MOs

Info

ID:

310244

PubChem CID:

126577197

Reduced:

BrS2N3O3C21H26 (1)

Stoich.:

AB2C3D3E21F26 (1)

Weight, g/mol:

568.254184

ΔHf, kcal/mol:

-109.15

Dipole, Da:

2.17

IP(EA), eV:

 -8.77(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propan-2-ylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)NCC3=C(SC4=C3CCNC4)Br

DOS

IR

Vibrations