Geometry & MOs

Info

ID:	330931
PubChem CID:	127248338
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	3.55
Dipole, Da:	3.57
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[3-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCN(C)C

DOS

IR

Vibrations