Geometry & MOs

Info

ID:	154098
PubChem CID:	56313486
Reduced:	N3O3S3C21H23 (1)
Stoich.:	A3B3C3D21E23 (1)
Weight, g/mol:	442.153798
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	3.36
IP(EA), eV:	-8.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCN3CCC4=C(C3)C=CS4

DOS

IR

Vibrations