Geometry & MOs

Info

ID:	195368
PubChem CID:	78677679
Reduced:	ClSN2O5C13H13 (1)
Stoich.:	ABC2D5E13F13 (1)
Weight, g/mol:	369.00343
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	5.03
IP(EA), eV:	-9.34(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(3-bromophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CN(CCS1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations