Geometry & MOs

Info

ID:	330896
PubChem CID:	127248303
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	4.75
Dipole, Da:	3.15
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazin-2-yl)-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations