Geometry & MOs

Info

ID:	131360
PubChem CID:	51195363
Reduced:	S2N4O5C14H20 (1)
Stoich.:	A2B4C5D14E20 (1)
Weight, g/mol:	305.153955
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	3.39
IP(EA), eV:	-9.71(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-fluoro-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC)SC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations