Geometry & MOs

Info

ID:	135820
PubChem CID:	51940554
Reduced:	SN2O5C21H34 (1)
Stoich.:	AB2C5D21E34 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-222.98
Dipole, Da:	4.77
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C)C2=CC(=C(C=C2)OCC(C)C)OC

DOS

IR

Vibrations