Geometry & MOs

Info

ID:	40905
PubChem CID:	8144935
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	417.08406
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	7.64
IP(EA), eV:	-8.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5S)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-9-ethylcarbazole

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=CC=C3OC

DOS

IR

Vibrations