Geometry & MOs

Info

ID:	186404
PubChem CID:	77427308
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	354.09506
ΔH_f, kcal/mol:	28.17
Dipole, Da:	4.18
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-amino-1,4-dimethyl-5-methylidene-6-oxopyrimidin-4-yl)thiophen-3-yl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCC1C(=O)N(C(=NC1(C)C2=CC=C(S2)C3=CN=CN=C3)N)C

DOS

IR

Vibrations