Geometry & MOs

Info

ID:	416235
PubChem CID:	135089245
Reduced:	N2S2O6C15H18 (1)
Stoich.:	A2B2C6D15E18 (1)
Weight, g/mol:	364.097204
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	6.15
IP(EA), eV:	-9.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC(=C(S2)C)S(=O)(=O)N3CC[C@@H]([C@@H](C3)O)C(=O)O

DOS

IR

Vibrations