Geometry & MOs

Info

ID:	42993
PubChem CID:	10317631
Reduced:	S2N4O5H12C14 (1)
Stoich.:	A2B4C5D12E14 (1)
Weight, g/mol:	380.135863
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	8.79
IP(EA), eV:	-9.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-thiophen-3-ylmethanol

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(S1)S(=O)(=O)NC2C3=CC=CC=C3N=C2C(=O)O

DOS

IR

Vibrations