Geometry & MOs

Info

ID:	34033
PubChem CID:	7889496
Reduced:	FO2S2N4H13C16 (1)
Stoich.:	AB2C2D4E13F16 (1)
Weight, g/mol:	372.071468
ΔH_f, kcal/mol:	-49.13
Dipole, Da:	6.47
IP(EA), eV:	-8.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(ethylcarbamoyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CNC(=O)CSC2=NC=NC3=C2C=CS3)F

DOS

IR

Vibrations