Geometry & MOs

Info

ID:	38065
PubChem CID:	8026736
Reduced:	S2O3N4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	422.144633
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	8.74
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)N[C@@]4(CCS(=O)(=O)C4)C)C

DOS

IR

Vibrations