Geometry & MOs

Info

ID:	415245
PubChem CID:	135088237
Reduced:	SN4O4C13H22 (1)
Stoich.:	AB4C4D13E22 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	7.59
IP(EA), eV:	-9.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethylamino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations