Geometry & MOs

Info

ID:	330944
PubChem CID:	127248351
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-58.49
Dipole, Da:	2.59
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-1-[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC(C)C

DOS

IR

Vibrations