Geometry & MOs

Info

ID:	61059
PubChem CID:	26704974
Reduced:	ClSN2O7H15C20 (1)
Stoich.:	ABC2D7E15F20 (1)
Weight, g/mol:	472.052956
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	1.63
IP(EA), eV:	-9.09(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2=C(SC=C2)C(=O)OC)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations