Geometry & MOs

Info

ID:	238380
PubChem CID:	92741004
Reduced:	ClSN2O5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	426.101621
ΔH_f, kcal/mol:	-203.8
Dipole, Da:	5.89
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-methoxy-4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SCCO1)C(=O)NC2=C(C=C(C(=C2)OC)C(=O)NC[C@@H]3CCCO3)Cl

DOS

IR

Vibrations