Geometry & MOs

Info

ID:	330916
PubChem CID:	127248323
Reduced:	S2O3N4C20H22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	442.113333
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	3.64
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations