Geometry & MOs

Info

ID:	69157
PubChem CID:	46525637
Reduced:	SN5O5C19H21 (1)
Stoich.:	AB5C5D19E21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	6.59
IP(EA), eV:	-9.16(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

DOS

IR

Vibrations