Geometry & MOs

Info

ID:	217794
PubChem CID:	85088401
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	400.033369
ΔH_f, kcal/mol:	94.69
Dipole, Da:	5.76
IP(EA), eV:	-9.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-(thiadiazol-5-ylsulfanyl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=NC(=O)C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C

DOS

IR

Vibrations