Geometry & MOs

Info

ID:	228136
PubChem CID:	87563509
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	1.61
IP(EA), eV:	-8.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(1,2,3,4,4a,5,6,7-octahydroquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)C

DOS

IR

Vibrations