Geometry & MOs

Info

ID:	41762
PubChem CID:	8147050
Reduced:	OSN3C23H29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-24.28
Dipole, Da:	3.29
IP(EA), eV:	-8.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations