Geometry & MOs

Info

ID:	415259
PubChem CID:	135088251
Reduced:	NO3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-228.54
Dipole, Da:	2.72
IP(EA), eV:	-8.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)CN4CCOC4=O)OC

DOS

IR

Vibrations