Geometry & MOs

Info

ID:	350709
PubChem CID:	127278997
Reduced:	SN4O5C16H28 (1)
Stoich.:	AB4C5D16E28 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-182.22
Dipole, Da:	4.89
IP(EA), eV:	-8.87(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)NCCN2CCOCC2(C)C

DOS

IR

Vibrations