Geometry & MOs

Info

ID:	204346
PubChem CID:	79951464
Reduced:	SO3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	299.074678
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	2.11
IP(EA), eV:	-8.8(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chloroanilino)-2-methylthiane-3-carboxylate

Drug info:

PubChemData

Smile

CC1C(CCCS1)(C2CCOC3(C2)CCOC3)O

DOS

IR

Vibrations