Geometry & MOs

Info

ID:	217012
PubChem CID:	85087117
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	95.47
Dipole, Da:	3.69
IP(EA), eV:	-8.38(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C3C(C(=O)N=N2)N(N=N3)C4CCCCC4

DOS

IR

Vibrations