Geometry & MOs

Info

ID:	364356
PubChem CID:	127315499
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	2.46
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CCCCN2C(=O)C(C)NC(=O)C3CCCC3

DOS

IR

Vibrations