Geometry & MOs

Info

ID:	43925
PubChem CID:	10322076
Reduced:	NSO4C26H39 (1)
Stoich.:	ABC4D26E39 (1)
Weight, g/mol:	459.981811
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	4.08
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-chloro-3-[(3,4-dichlorophenyl)methyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=S)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

DOS

IR

Vibrations