Geometry & MOs

Info

ID:	236763
PubChem CID:	92714637
Reduced:	SO2N5C26H33 (1)
Stoich.:	AB2C5D26E33 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	19.93
Dipole, Da:	4.53
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C(=O)C[S@@](=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

DOS

IR

Vibrations