Geometry & MOs

Info

ID:	330832
PubChem CID:	127248239
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	5.82
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC)OC

DOS

IR

Vibrations