Geometry & MOs

Info

ID:	423205
PubChem CID:	135119116
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	27.9
Dipole, Da:	6.76
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCCC(C3)C4=CC(=O)N=CN4

DOS

IR

Vibrations