Geometry & MOs

Info

ID:	421663
PubChem CID:	135116395
Reduced:	SN2O2C7H10 (2)
Stoich.:	AB2C2D7E10 (2)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	3.79
IP(EA), eV:	-9.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-N-methylsulfonylanilino)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CSC2=N1)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations