Geometry & MOs

Info

ID:	303233
PubChem CID:	124489391
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	272.130697
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[C@@H](C2)CNC

DOS

IR

Vibrations