Geometry & MOs

Info

ID:	444641
PubChem CID:	135263116
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	507.219178
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	2.09
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyridin-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NC(=O)C2)CC(=O)O

DOS

IR

Vibrations