Geometry & MOs

Info

ID:

310238

PubChem CID:

126577125

Reduced:

SN2O2C14H19 (2)

Stoich.:

AB2C2D14E19 (2)

Weight, g/mol:

490.130875

ΔHf, kcal/mol:

-180.86

Dipole, Da:

3.02

IP(EA), eV:

 -8.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-acetyl-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCN(C4)C(=O)OC(C)(C)C)N5CCCC5

DOS

IR

Vibrations