Geometry & MOs

Info

ID:	236793
PubChem CID:	92714693
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	6.23
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)C[S@](=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations