Geometry & MOs

Info

ID:	364346
PubChem CID:	127315486
Reduced:	O2S2N6C15H18 (1)
Stoich.:	A2B2C6D15E18 (1)
Weight, g/mol:	389.123169
ΔH_f, kcal/mol:	8.79
Dipole, Da:	2.97
IP(EA), eV:	-8.84(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethylthieno[2,3-b]pyridine-2-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CSC(=N2)C3=NC=NN3)C(=O)N4CCSCC4

DOS

IR

Vibrations