Geometry & MOs

Info

ID:	229827
PubChem CID:	87569274
Reduced:	NP2C35H37 (1)
Stoich.:	AB2C35D37 (1)
Weight, g/mol:	368.095238
ΔH_f, kcal/mol:	91.13
Dipole, Da:	1.05
IP(EA), eV:	-7.99(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carbothioamide;sulfane

Drug info:

PubChemData

Smile

CC(C)N(C1=C(C=CC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

DOS

IR

Vibrations