Geometry & MOs

Info

ID:	444648
PubChem CID:	135263133
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	506.223929
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	2.29
IP(EA), eV:	-8.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)/C=N/S(=O)C(C)(C)C

DOS

IR

Vibrations