Geometry & MOs

Info

ID:	61052
PubChem CID:	26704814
Reduced:	NCl2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	438.091929
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	2.76
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations