Geometry & MOs

Info

ID:	420694
PubChem CID:	135114674
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	5.4
IP(EA), eV:	-9.07(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCC3=CC=CC=C3)O

DOS

IR

Vibrations