Geometry & MOs

Info

ID:	253380
PubChem CID:	103118042
Reduced:	OSN6H10C12 (1)
Stoich.:	ABC6D10E12 (1)
Weight, g/mol:	254.083747
ΔH_f, kcal/mol:	71.84
Dipole, Da:	2.86
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazole-3-carbonyl)morpholine-2-carbothioamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)NC3=C(C=NN3)C(=S)N

DOS

IR

Vibrations