Geometry & MOs

Info

ID:	245625
PubChem CID:	99455638
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	6.14
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-nitro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations