Geometry & MOs

Info

ID:	351114
PubChem CID:	127279672
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	2.08
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations