Geometry & MOs

Info

ID:	330895
PubChem CID:	127248302
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.32
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-(5-methylpyrazine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations