Geometry & MOs

Info

ID:	349029
PubChem CID:	127274755
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	283.135448
ΔH_f, kcal/mol:	8.13
Dipole, Da:	3.41
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)CC3=CSC(=N3)C4=NC=CN=C4)C)C

DOS

IR

Vibrations