Geometry & MOs

Info

ID:	330929
PubChem CID:	127248336
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	3.11
IP(EA), eV:	-8.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations