Geometry & MOs

Info

ID:	127167
PubChem CID:	50993139
Reduced:	SN5O7H35C36 (1)
Stoich.:	AB5C7D35E36 (1)
Weight, g/mol:	368.095965
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	5.71
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-diethoxyphosphorylfuran-2-yl)-5-(2-methylpropyl)-1,3-thiazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCSC1=NC=C2C(=N1)N(N=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations