Geometry & MOs

Info

ID:	171161
PubChem CID:	75336948
Reduced:	ClNSO7H16C21 (1)
Stoich.:	ABCD7E16F21 (1)
Weight, g/mol:	577.07699
ΔH_f, kcal/mol:	-215.22
Dipole, Da:	5.09
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)OC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations