Geometry & MOs

Info

ID:	236770
PubChem CID:	92714648
Reduced:	SO2N4C28H30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	41.43
Dipole, Da:	5.21
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-methyl-2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[S@](=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

DOS

IR

Vibrations