Geometry & MOs

Info

ID:	330786
PubChem CID:	127248193
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	5.26
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC)C

DOS

IR

Vibrations