Geometry & MOs

Info

ID:	421239
PubChem CID:	135115635
Reduced:	FN4O5C34H45 (1)
Stoich.:	AB4C5D34E45 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-234.96
Dipole, Da:	9.48
IP(EA), eV:	-8.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)CC[C@@H]4CCCN5[C@@H]4CCCC5

DOS

IR

Vibrations