Geometry & MOs

Info

ID:	142027
PubChem CID:	52969498
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	298.171499
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	3.61
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-4-methoxy-7-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)butanamide

Drug info:

PubChemData

Smile

CC1CCC(C2C1N(C(=NC(=O)C3=CC4=CC=CC=C4OC3=O)S2)C)C

DOS

IR

Vibrations