Geometry & MOs

Info

ID:	171118
PubChem CID:	75329804
Reduced:	BrSN2O2C29H29 (1)
Stoich.:	ABC2D2E29F29 (1)
Weight, g/mol:	504.099122
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	9.57
IP(EA), eV:	-8.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C3CCCCC3)C)C=C4C(=O)N(C(=O)S4)CC5=CC=CC=C5Br

DOS

IR

Vibrations