Geometry & MOs

Info

ID:	162033
PubChem CID:	57393397
Reduced:	F2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	396.104539
ΔH_f, kcal/mol:	-168.3
Dipole, Da:	4.79
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=C2)CC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations