Geometry & MOs

Info

ID:	236789
PubChem CID:	92714685
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	44.78
Dipole, Da:	4.39
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-imidazol-5-yl)ethyl]-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC(=O)C[S@](=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

DOS

IR

Vibrations