Geometry & MOs

Info

ID:	43096
PubChem CID:	10318470
Reduced:	ON2S2F3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	7.99
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C=CS2)SCC3=CC=NC=C3

DOS

IR

Vibrations