Geometry & MOs

Info

ID:	60414
PubChem CID:	26684858
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	3.71
IP(EA), eV:	-9.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations