Geometry & MOs

Info

ID:	395707
PubChem CID:	135026289
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	1.26
IP(EA), eV:	-8.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1,1-di(pyrazol-1-yl)propan-2-ylideneamino]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1C=CC(=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations