Geometry & MOs

Info

ID:	154924
PubChem CID:	56314474
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	7.43
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations