Geometry & MOs

Info

ID:	84711
PubChem CID:	49869390
Reduced:	N5O5H15C16 (1)
Stoich.:	A5B5C15D16 (1)
Weight, g/mol:	462.01682
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	1.75
IP(EA), eV:	-9.16(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-bromo-6-[[[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)C(CCC(=O)O)N3C=C(NN3)/C=C/C(=O)N=O

DOS

IR

Vibrations