Geometry & MOs

Info

ID:	139630
PubChem CID:	52572376
Reduced:	NO2F3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	405.073632
ΔH_f, kcal/mol:	-263.93
Dipole, Da:	3.3
IP(EA), eV:	-9.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-ethylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations