Geometry & MOs

Info

ID:	243419
PubChem CID:	99222773
Reduced:	O4N5C23H33 (1)
Stoich.:	A4B5C23D33 (1)
Weight, g/mol:	364.124549
ΔH_f, kcal/mol:	-191.88
Dipole, Da:	7.96
IP(EA), eV:	-9.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(6-methoxypyridin-3-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)NC(=O)C2=CC(=NC3=C2C(=O)NC(=O)N3CC(C)C)C(C)C

DOS

IR

Vibrations