Geometry & MOs

Info

ID:	34023
PubChem CID:	7889464
Reduced:	OS2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	337.015511
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	1.97
IP(EA), eV:	-9.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC=NC5=C4C=CS5

DOS

IR

Vibrations