Geometry & MOs

Info

ID:	195367
PubChem CID:	78677678
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	344.02337
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	5.85
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-chloro-2-nitrobenzoyl)thiomorpholine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCSC(C2)C(=O)OC

DOS

IR

Vibrations