Geometry & MOs

Info

ID:	68755
PubChem CID:	46509033
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	3.14
IP(EA), eV:	-9.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations