Geometry & MOs

Info

ID:	33631
PubChem CID:	7887286
Reduced:	SN2O3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	385.058855
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	5.62
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC4=CC=CC=C4S3)C=C1

DOS

IR

Vibrations