Geometry & MOs

Info

ID:	38064
PubChem CID:	8026732
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	422.144633
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	5.8
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N[C@H]3CCSC4=CC=CC=C34)C

DOS

IR

Vibrations