Geometry & MOs

Info

ID:	38312
PubChem CID:	8030012
Reduced:	SO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.852042
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=C(C3=C(CCCC3)C(=[NH+]2)N4CCOCC4)C#N

DOS

IR

Vibrations