Geometry & MOs

Info

ID:	445295
PubChem CID:	135265919
Reduced:	N3O6C32H41 (1)
Stoich.:	A3B6C32D41 (1)
Weight, g/mol:	393.108476
ΔH_f, kcal/mol:	-214.51
Dipole, Da:	5.96
IP(EA), eV:	-8.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-dichloro-4-(2-methylbutan-2-yl)phenyl]-4-ethenyl-2-pent-1-en-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

CCC(C)OC1=C(CCC(=C1)C(=C)NC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)N)OC(C)C)OC(C)C)O

DOS

IR

Vibrations