Geometry & MOs

Info

ID:

310233

PubChem CID:

126577073

Reduced:

FS2N3O4C23H30 (1)

Stoich.:

AB2C3D4E23F30 (1)

Weight, g/mol:

574.207233

ΔHf, kcal/mol:

-213.83

Dipole, Da:

2.86

IP(EA), eV:

 -8.96(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)CN(CC2)C)CNC(=O)NC3=C(C4=C(S3)C(OCC4)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations