Geometry & MOs

Info

ID:	16210
PubChem CID:	461606
Reduced:	ClSN2O2C18H23 (1)
Stoich.:	ABC2D2E18F23 (1)
Weight, g/mol:	366.116877
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboximidothioic acid

Drug info:

PubChemData

Smile

CC1=C(CCCO1)C(=NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C)S

DOS

IR

Vibrations