Geometry & MOs

Info

ID:	161750
PubChem CID:	57392539
Reduced:	Cl2O2N5C13H15 (1)
Stoich.:	A2B2C5D13E15 (1)
Weight, g/mol:	580.049825
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	4.91
IP(EA), eV:	-9.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-5-(trifluoromethyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2CCN(CC2)C3=NN=CO3)Cl)Cl

DOS

IR

Vibrations