Geometry & MOs

Info

ID:	236785
PubChem CID:	92714665
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	10.73
Dipole, Da:	3.86
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations