Geometry & MOs

Info

ID:	421691
PubChem CID:	135116432
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	2.04
IP(EA), eV:	-9.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations