Geometry & MOs

Info

ID:	243841
PubChem CID:	99289333
Reduced:	O2S2N5C19H27 (1)
Stoich.:	A2B2C5D19E27 (1)
Weight, g/mol:	459.219178
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	6.29
IP(EA), eV:	-8.67(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C[C@@H]2CCCN2C(=O)CN3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations