Geometry & MOs

Info

ID:	236175
PubChem CID:	92711837
Reduced:	FSN4H23C24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	57.29
Dipole, Da:	2.56
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations