Geometry & MOs

Info

ID:	351149
PubChem CID:	127279707
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	358.08097
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	5.37
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)CCOC4)C

DOS

IR

Vibrations