Geometry & MOs

Info

ID:	414913
PubChem CID:	135087885
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	372.183127
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	3.13
IP(EA), eV:	-8.07(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OC)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations